3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one

C21H20N2O3 — CID 9318404

IUPAC3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc2cc(CN(C)Cn3c(=O)oc4ccccc43)ccc2c1
InChIInChI=1S/C21H20N2O3/c1-22(14-23-19-5-3-4-6-20(19)26-21(23)24)13-15-7-8-17-12-18(25-2)10-9-16(17)11-15/h3-12H,13-14H2,1-2H3
InChIKeyARHSRHSJKFMCBZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.85
Rot. Bonds5

About 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one

3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one (PubChem CID 9318404) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
PubChem CID9318404
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
SMILESCOc1ccc2cc(CN(C)Cn3c(=O)oc4ccccc43)ccc2c1
InChIInChI=1S/C21H20N2O3/c1-22(14-23-19-5-3-4-6-20(19)26-21(23)24)13-15-7-8-17-12-18(25-2)10-9-16(17)11-15/h3-12H,13-14H2,1-2H3
InChIKeyARHSRHSJKFMCBZ-UHFFFAOYSA-N
XLogP3.85
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-benzoxazol-2-one
CID 27374839
6-chloro-3-[[(2,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 9241011
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 8892909
7-methoxy-4-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]chromen-2-one
CID 9054180
3-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-1,3-benzoxazol-2-one
CID 17467843
3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
CID 9282371
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
2-(4-methoxyphenoxy)ethyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
CID 9451155
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949216
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400679

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one (CID 9318404) is 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one is COc1ccc2cc(CN(C)Cn3c(=O)oc4ccccc43)ccc2c1.
What is the InChIKey of 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one?
The InChIKey is ARHSRHSJKFMCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-22(14-23-19-5-3-4-6-20(19)26-21(23)24)13-15-7-8-17-12-18(25-2)10-9-16(17)11-15/h3-12H,13-14H2,1-2H3.
What are the key properties of 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one?
3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 9318404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).