2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride

C13H16ClN3O3 — CID 119709874

IUPAC2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H15N3O3.ClH/c14-9-3-1-2-8(9)12(17)15-7-4-5-11-10(6-7)16-13(18)19-11;/h4-6,8-9H,1-3,14H2,(H,15,17)(H,16,18);1H
InChIKeyDBFDZYHCTMSARM-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.61
Rot. Bonds2

About 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride

2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119709874) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119709874
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC1C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H15N3O3.ClH/c14-9-3-1-2-8(9)12(17)15-7-4-5-11-10(6-7)16-13(18)19-11;/h4-6,8-9H,1-3,14H2,(H,15,17)(H,16,18);1H
InChIKeyDBFDZYHCTMSARM-UHFFFAOYSA-N
XLogP1.61
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60850506
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CID 119709884
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
2-amino-1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
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2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 163395275
5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one
CID 79458762
2-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
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2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-amino-N-(2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxamide
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(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119709874) is 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCCC1C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is DBFDZYHCTMSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.ClH/c14-9-3-1-2-8(9)12(17)15-7-4-5-11-10(6-7)16-13(18)19-11;/h4-6,8-9H,1-3,14H2,(H,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 297.74 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119709874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).