2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide

C15H14ClN3O3 — CID 8986498

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)CCCC1
InChIInChI=1S/C15H14ClN3O3/c16-10-3-4-11-12(7-10)22-14(21)19(11)8-13(20)18-15(9-17)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,18,20)
InChIKeyMEENEQIVMFDMJZ-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.20
Rot. Bonds3

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide (PubChem CID 8986498) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide
PubChem CID8986498
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)CCCC1
InChIInChI=1S/C15H14ClN3O3/c16-10-3-4-11-12(7-10)22-14(21)19(11)8-13(20)18-15(9-17)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,18,20)
InChIKeyMEENEQIVMFDMJZ-UHFFFAOYSA-N
XLogP2.20
TPSA88.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401421
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
ethyl N-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]carbamate
CID 8986413
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8986893
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide
CID 51497975
N-[(1S)-1-(1-adamantyl)ethyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986308

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide (CID 8986498) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)CCCC1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is MEENEQIVMFDMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-10-3-4-11-12(7-10)22-14(21)19(11)8-13(20)18-15(9-17)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,18,20).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 319.75 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 8986498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).