N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C15H18N2O4 — CID 104957458

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H18N2O4/c18-12-7-3-1-5-10(12)16-14(19)9-17-11-6-2-4-8-13(11)21-15(17)20/h2,4,6,8,10,12,18H,1,3,5,7,9H2,(H,16,19)/t10-,12-/m0/s1
InChIKeyNYEBGRKNXMJMSA-JQWIXIFHSA-N
MW290.32 g/mol
LogP1.01
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 104957458) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID104957458
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H18N2O4/c18-12-7-3-1-5-10(12)16-14(19)9-17-11-6-2-4-8-13(11)21-15(17)20/h2,4,6,8,10,12,18H,1,3,5,7,9H2,(H,16,19)/t10-,12-/m0/s1
InChIKeyNYEBGRKNXMJMSA-JQWIXIFHSA-N
XLogP1.01
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 99852410
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide
CID 35240007
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 17413485
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 23794461
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 99838523

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 104957458) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is NYEBGRKNXMJMSA-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12-7-3-1-5-10(12)16-14(19)9-17-11-6-2-4-8-13(11)21-15(17)20/h2,4,6,8,10,12,18H,1,3,5,7,9H2,(H,16,19)/t10-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 104957458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).