6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one

C16H16N2O3 — CID 22433803

IUPAC6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(CNc2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C16H16N2O3/c1-18-14-8-5-12(9-15(14)21-16(18)19)17-10-11-3-6-13(20-2)7-4-11/h3-9,17H,10H2,1-2H3
InChIKeyLHUGDQZEFDZQLP-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.75
Rot. Bonds4

About 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one

6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 22433803) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
PubChem CID22433803
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1ccc(CNc2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C16H16N2O3/c1-18-14-8-5-12(9-15(14)21-16(18)19)17-10-11-3-6-13(20-2)7-4-11/h3-9,17H,10H2,1-2H3
InChIKeyLHUGDQZEFDZQLP-UHFFFAOYSA-N
XLogP2.75
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 16677694
ethyl 5-[[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]methyl]furan-2-carboxylate
CID 86782844
N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
CID 82539031
3-methyl-6-[3-(methylamino)propylamino]-1,3-benzoxazol-2-one
CID 115197727
6-[(Z)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzoxazol-2-one
CID 134133463
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
3-methyl-6-(3-sulfanylpropylamino)-1,3-benzoxazol-2-one
CID 115224646
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
CID 116926141
2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethanesulfonamide
CID 110411265
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
6-(2,3-diaminopropylamino)-3-methyl-1,3-benzoxazol-2-one
CID 115119444

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one (CID 22433803) is 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one is COc1ccc(CNc2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is LHUGDQZEFDZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18-14-8-5-12(9-15(14)21-16(18)19)17-10-11-3-6-13(20-2)7-4-11/h3-9,17H,10H2,1-2H3.
What are the key properties of 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one?
6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 284.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 22433803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).