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

C16H16N2O3 — CID 43486103

IUPAC6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCNC(c1cccc(OC)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H16N2O3/c1-17-15(10-4-3-5-12(8-10)20-2)11-6-7-13-14(9-11)21-16(19)18-13/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyZCEFEPXRQVTKPA-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.44
Rot. Bonds4

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

6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 43486103) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID43486103
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCNC(c1cccc(OC)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H16N2O3/c1-17-15(10-4-3-5-12(8-10)20-2)11-6-7-13-14(9-11)21-16(19)18-13/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyZCEFEPXRQVTKPA-UHFFFAOYSA-N
XLogP2.44
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486043
6-[(3-chloro-2-methylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107096405
6-[2-chloro-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 116952665
6-[1-(methylamino)-2-methylsulfanylethyl]-3H-1,3-benzoxazol-2-one
CID 116830424
6-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486083
3-(methylamino)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanenitrile
CID 116955187
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484817
6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089164
6-amino-5-(3-methoxyphenyl)sulfanyl-3H-1,3-benzoxazol-2-one
CID 115426022
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846
1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106691445
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one (CID 43486103) is 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one is CNC(c1cccc(OC)c1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is ZCEFEPXRQVTKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-15(10-4-3-5-12(8-10)20-2)11-6-7-13-14(9-11)21-16(19)18-13/h3-9,15,17H,1-2H3,(H,18,19).
What are the key properties of 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one?
6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43486103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).