3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

CAS: 1087753-92-1

Formula: C13H12N2O5

SMILES: CC1=CC(=NO1)N1CC23OC(C=C2)C(C3C1=O)C(O)=O

IUPAC: 3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

InChI: InChI=1/C13H12N2O5/c1-6-4-8(14-20-6)15-5-13-3-2-7(19-13)9(12(17)18)10(13)11(15)16/h2-4,7,9-10H,5H2,1H3,(H,17,18)

Composition: C (56.52%), H (4.38%), N (10.14%), O (28.96%)

Molar Mass: 276.248

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	276.074621494
Formal Charge	0
FSP3	0.46
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RCRBLLBFYVWIES-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.63
Topological Polar Surface Area	92.87
Polarizability	24.84
Ring Count	4
Rotatable Bond Count	2

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