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

C15H15N3O2 — CID 117041083

IUPAC6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
SMILESCNc1cccc(N(C)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C15H15N3O2/c1-16-10-4-3-5-11(8-10)18(2)12-6-7-13-14(9-12)20-15(19)17-13/h3-9,16H,1-2H3,(H,17,19)
InChIKeySWZYIZSJCKIAHL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.93
Rot. Bonds3

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

6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one (PubChem CID 117041083) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
PubChem CID117041083
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
SMILESCNc1cccc(N(C)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C15H15N3O2/c1-16-10-4-3-5-11(8-10)18(2)12-6-7-13-14(9-12)20-15(19)17-13/h3-9,16H,1-2H3,(H,17,19)
InChIKeySWZYIZSJCKIAHL-UHFFFAOYSA-N
XLogP2.93
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078
6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 117043939
5-[3-(methylamino)phenyl]-3H-1,3-benzoxazol-2-one
CID 116962404
6-[methyl-[[1-(methylaminomethyl)cyclopropyl]methyl]amino]-3H-1,3-benzoxazol-2-one
CID 115244654
methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169877
5-[[3-(methylamino)phenyl]methyl]-3H-1,3-benzoxazol-2-one
CID 116925926
6-amino-5-[3-(dimethylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 115425824
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028936
3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028949
6-[methyl(3-phenylpropyl)amino]-3H-1,3-benzoxazol-2-one;hydrochloride
CID 14500459
6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115149457

Frequently Asked Questions

What is the IUPAC name of 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one (CID 117041083) is 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one is CNc1cccc(N(C)c2ccc3[nH]c(=O)oc3c2)c1.
What is the InChIKey of 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one?
The InChIKey is SWZYIZSJCKIAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-16-10-4-3-5-11(8-10)18(2)12-6-7-13-14(9-12)20-15(19)17-13/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one?
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 117041083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).