N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C17H22N2O3 — CID 7023942

IUPACN-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H22N2O3/c1-12-6-2-3-7-13(12)18-16(20)10-11-19-14-8-4-5-9-15(14)22-17(19)21/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyFWGWAHUFKPNEHJ-STQMWFEESA-N
MW302.37 g/mol
LogP2.68
Rot. Bonds4

About N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 7023942) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID7023942
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H22N2O3/c1-12-6-2-3-7-13(12)18-16(20)10-11-19-14-8-4-5-9-15(14)22-17(19)21/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyFWGWAHUFKPNEHJ-STQMWFEESA-N
XLogP2.68
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9273250
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CID 35240007
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CID 46612248
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N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
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3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 7023942) is N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is C[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is FWGWAHUFKPNEHJ-STQMWFEESA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-6-2-3-7-13(12)18-16(20)10-11-19-14-8-4-5-9-15(14)22-17(19)21/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 302.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 7023942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).