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

C13H14N2O3 — CID 110665279

IUPACN-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1ccc2oc(=O)[nH]c2c1)C1CC1
InChIInChI=1S/C13H14N2O3/c16-12(9-2-3-9)14-6-5-8-1-4-11-10(7-8)15-13(17)18-11/h1,4,7,9H,2-3,5-6H2,(H,14,16)(H,15,17)
InChIKeyYVTPAZHPSUYFHG-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.19
Rot. Bonds4

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

N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide (PubChem CID 110665279) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
PubChem CID110665279
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1ccc2oc(=O)[nH]c2c1)C1CC1
InChIInChI=1S/C13H14N2O3/c16-12(9-2-3-9)14-6-5-8-1-4-11-10(7-8)15-13(17)18-11/h1,4,7,9H,2-3,5-6H2,(H,14,16)(H,15,17)
InChIKeyYVTPAZHPSUYFHG-UHFFFAOYSA-N
XLogP1.19
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.19
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]cyclopentanecarboxamide
CID 110665286
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110786705
5-bromo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]furan-2-carboxamide
CID 110665271
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296
5-[2-(bromomethylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115262276
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
CID 115155445
3-cyano-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173971
5-[2-(pyrrolidin-3-ylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 115119055
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110707465

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide (CID 110665279) is N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide is O=C(NCCc1ccc2oc(=O)[nH]c2c1)C1CC1.
What is the InChIKey of N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is YVTPAZHPSUYFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12(9-2-3-9)14-6-5-8-1-4-11-10(7-8)15-13(17)18-11/h1,4,7,9H,2-3,5-6H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide?
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110665279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).