5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one

C14H18N2O2 — CID 93275329

IUPAC5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
SMILESC[C@@H]1CCCC[C@@H]1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-9-4-2-3-5-11(9)15-10-6-7-13-12(8-10)16-14(17)18-13/h6-9,11,15H,2-5H2,1H3,(H,16,17)/t9-,11+/m1/s1
InChIKeyOPEMDSCICSPEED-KOLCDFICSA-N
MW246.31 g/mol
LogP3.11
Rot. Bonds2

About 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one

5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one (PubChem CID 93275329) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
PubChem CID93275329
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
SMILESC[C@@H]1CCCC[C@@H]1Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H18N2O2/c1-9-4-2-3-5-11(9)15-10-6-7-13-12(8-10)16-14(17)18-13/h6-9,11,15H,2-5H2,1H3,(H,16,17)/t9-,11+/m1/s1
InChIKeyOPEMDSCICSPEED-KOLCDFICSA-N
XLogP3.11
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
CID 65044585
5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 43741600
5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one
CID 79458762
5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3H-1,3-benzoxazol-2-one
CID 106658517
5-[(1,5-dimethylpyrrolidin-3-yl)amino]-3H-1,3-benzoxazol-2-one
CID 81466348
6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 64761439
5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119709884
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 79707132
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193591

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one (CID 93275329) is 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one is C[C@@H]1CCCC[C@@H]1Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is OPEMDSCICSPEED-KOLCDFICSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-4-2-3-5-11(9)15-10-6-7-13-12(8-10)16-14(17)18-13/h6-9,11,15H,2-5H2,1H3,(H,16,17)/t9-,11+/m1/s1.
What are the key properties of 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one?
5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 93275329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).