1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide

C16H19N3O4 — CID 86992273

IUPAC1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)Cn2c(=O)oc3ccccc32)CCCCC1
InChIInChI=1S/C16H19N3O4/c17-14(21)16(8-4-1-5-9-16)18-13(20)10-19-11-6-2-3-7-12(11)23-15(19)22/h2-3,6-7H,1,4-5,8-10H2,(H2,17,21)(H,18,20)
InChIKeyWQEFLTXCWJWKHN-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.90
Rot. Bonds4

About 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide

1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 86992273) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID86992273
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)Cn2c(=O)oc3ccccc32)CCCCC1
InChIInChI=1S/C16H19N3O4/c17-14(21)16(8-4-1-5-9-16)18-13(20)10-19-11-6-2-3-7-12(11)23-15(19)22/h2-3,6-7H,1,4-5,8-10H2,(H2,17,21)(H,18,20)
InChIKeyWQEFLTXCWJWKHN-UHFFFAOYSA-N
XLogP0.90
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401421
2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17495957
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 18886697
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104957458
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167448
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111426876
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 71782160

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide (CID 86992273) is 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide is NC(=O)C1(NC(=O)Cn2c(=O)oc3ccccc32)CCCCC1.
What is the InChIKey of 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is WQEFLTXCWJWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c17-14(21)16(8-4-1-5-9-16)18-13(20)10-19-11-6-2-3-7-12(11)23-15(19)22/h2-3,6-7H,1,4-5,8-10H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 86992273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).