3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide

C17H19F3N2O3 — CID 35240007

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)21-15(23)9-10-22-13-7-3-4-8-14(13)25-16(22)24/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,21,23)/t11-,12-/m1/s1
InChIKeyVYOZDRLSUOMKCT-VXGBXAGGSA-N
MW356.34 g/mol
LogP3.22
Rot. Bonds4

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 35240007) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID35240007
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)21-15(23)9-10-22-13-7-3-4-8-14(13)25-16(22)24/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,21,23)/t11-,12-/m1/s1
InChIKeyVYOZDRLSUOMKCT-VXGBXAGGSA-N
XLogP3.22
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide with MolForge

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
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
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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CID 53499763
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9273250
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2477104
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide (CID 35240007) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide is O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is VYOZDRLSUOMKCT-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)21-15(23)9-10-22-13-7-3-4-8-14(13)25-16(22)24/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,21,23)/t11-,12-/m1/s1.
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 356.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 35240007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).