bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone

C13H12N2O3 — CID 175316695

IUPACbis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)c1cc(C2CC2)on1
InChIInChI=1S/C13H12N2O3/c16-13(9-5-11(17-14-9)7-1-2-7)10-6-12(18-15-10)8-3-4-8/h5-8H,1-4H2
InChIKeyCHXMLWCLRRLFAS-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.65
Rot. Bonds4

About bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone

bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 175316695) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Namebis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID175316695
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namebis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)c1cc(C2CC2)on1
InChIInChI=1S/C13H12N2O3/c16-13(9-5-11(17-14-9)7-1-2-7)10-6-12(18-15-10)8-3-4-8/h5-8H,1-4H2
InChIKeyCHXMLWCLRRLFAS-UHFFFAOYSA-N
XLogP2.65
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
1-(5-cyclohexyl-1,2-oxazol-3-yl)ethanone
CID 115094361
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
5-cyclopropyl-N-methylsulfonyl-1,2-oxazole-3-carboxamide
CID 154774184
(5-cyclopropyl-1,2-oxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 22427513
methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
CID 154791565
5-(oxetan-3-yl)-1,2-oxazole-3-carboxylic acid
CID 146220605
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55152096
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
2-[cyclopentyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 60826942
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450

Frequently Asked Questions

What is the IUPAC name of bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 175316695) is bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(C2CC2)on1)c1cc(C2CC2)on1.
What is the InChIKey of bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is CHXMLWCLRRLFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13(9-5-11(17-14-9)7-1-2-7)10-6-12(18-15-10)8-3-4-8/h5-8H,1-4H2.
What are the key properties of bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 244.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 175316695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).