4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide

C14H17N3O3 — CID 60850506

IUPAC4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C14H17N3O3/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)17-14(19)20-12/h5-9H,1-4,15H2,(H,16,18)(H,17,19)
InChIKeyXQDUJELDJBZHMF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.58
Rot. Bonds2

About 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide

4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 60850506) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
PubChem CID60850506
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C14H17N3O3/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)17-14(19)20-12/h5-9H,1-4,15H2,(H,16,18)(H,17,19)
InChIKeyXQDUJELDJBZHMF-UHFFFAOYSA-N
XLogP1.58
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
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N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525950
(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119709884
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525952
2-amino-1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 82764078
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide (CID 60850506) is 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc3oc(=O)[nH]c3c2)CC1.
What is the InChIKey of 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is XQDUJELDJBZHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12-11(7-10)17-14(19)20-12/h5-9H,1-4,15H2,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60850506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).