5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one

C15H14N2O2 — CID 116925926

IUPAC5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one
SMILESCNc1cccc(Cc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C15H14N2O2/c1-16-12-4-2-3-10(8-12)7-11-5-6-14-13(9-11)17-15(18)19-14/h2-6,8-9,16H,7H2,1H3,(H,17,18)
InChIKeyWORLWMVEJKYSGA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.75
Rot. Bonds3

About 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one

5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 116925926) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one
PubChem CID116925926
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one
SMILESCNc1cccc(Cc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C15H14N2O2/c1-16-12-4-2-3-10(8-12)7-11-5-6-14-13(9-11)17-15(18)19-14/h2-6,8-9,16H,7H2,1H3,(H,17,18)
InChIKeyWORLWMVEJKYSGA-UHFFFAOYSA-N
XLogP2.75
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(methylamino)phenyl]-3H-1,3-benzoxazol-2-one
CID 116962404
N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774011
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
ethane;5-(2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 143679953
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083
1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
5-[(sulfanylmethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 115227979
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
5-[(3-bromophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741453
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774013
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
CID 116846784

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one (CID 116925926) is 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one is CNc1cccc(Cc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is WORLWMVEJKYSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-16-12-4-2-3-10(8-12)7-11-5-6-14-13(9-11)17-15(18)19-14/h2-6,8-9,16H,7H2,1H3,(H,17,18).
What are the key properties of 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one?
5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116925926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).