6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one

C14H18N2O3 — CID 115149457

IUPAC6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one
SMILESCN(c1ccc2[nH]c(=O)oc2c1)C1CCC(O)CC1
InChIInChI=1S/C14H18N2O3/c1-16(9-2-5-11(17)6-3-9)10-4-7-12-13(8-10)19-14(18)15-12/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,15,18)
InChIKeyQDINUDVJMDMECP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.86
Rot. Bonds2

About 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one

6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 115149457) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID115149457
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one
SMILESCN(c1ccc2[nH]c(=O)oc2c1)C1CCC(O)CC1
InChIInChI=1S/C14H18N2O3/c1-16(9-2-5-11(17)6-3-9)10-4-7-12-13(8-10)19-14(18)15-12/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,15,18)
InChIKeyQDINUDVJMDMECP-UHFFFAOYSA-N
XLogP1.86
TPSA69.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 117043939
methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169877
6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115122051
3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoic acid
CID 117042149
N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 58005534
2-amino-3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115240611
6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115210689
6-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115135265
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083
6-amino-5-[cyclopentyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425161
2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide
CID 116848980

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one (CID 115149457) is 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one is CN(c1ccc2[nH]c(=O)oc2c1)C1CCC(O)CC1.
What is the InChIKey of 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is QDINUDVJMDMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(9-2-5-11(17)6-3-9)10-4-7-12-13(8-10)19-14(18)15-12/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,15,18).
What are the key properties of 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one?
6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115149457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).