N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide

C12H12N2O3 — CID 110786705

IUPACN-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc2oc(=O)[nH]c2c1)C1CC1
InChIInChI=1S/C12H12N2O3/c15-11(8-2-3-8)13-6-7-1-4-10-9(5-7)14-12(16)17-10/h1,4-5,8H,2-3,6H2,(H,13,15)(H,14,16)
InChIKeyCQSTXLMDVPRWCS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.15
Rot. Bonds3

About N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide

N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide (PubChem CID 110786705) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
PubChem CID110786705
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc2oc(=O)[nH]c2c1)C1CC1
InChIInChI=1S/C12H12N2O3/c15-11(8-2-3-8)13-6-7-1-4-10-9(5-7)14-12(16)17-10/h1,4-5,8H,2-3,6H2,(H,13,15)(H,14,16)
InChIKeyCQSTXLMDVPRWCS-UHFFFAOYSA-N
XLogP1.15
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110665286
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
1-(aminomethyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182711
2-ethyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 110786713
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 60850506

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide (CID 110786705) is N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide is O=C(NCc1ccc2oc(=O)[nH]c2c1)C1CC1.
What is the InChIKey of N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide?
The InChIKey is CQSTXLMDVPRWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11(8-2-3-8)13-6-7-1-4-10-9(5-7)14-12(16)17-10/h1,4-5,8H,2-3,6H2,(H,13,15)(H,14,16).
What are the key properties of N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide?
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 110786705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).