6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one

C11H14N2O2 — CID 117043939

IUPAC6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCC(C)N(C)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H14N2O2/c1-7(2)13(3)8-4-5-9-10(6-8)15-11(14)12-9/h4-7H,1-3H3,(H,12,14)
InChIKeyGGYZWWQOOCLPBS-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.97
Rot. Bonds2

About 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one

6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 117043939) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID117043939
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCC(C)N(C)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H14N2O2/c1-7(2)13(3)8-4-5-9-10(6-8)15-11(14)12-9/h4-7H,1-3H3,(H,12,14)
InChIKeyGGYZWWQOOCLPBS-UHFFFAOYSA-N
XLogP1.97
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoic acid
CID 117042149
methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169877
6-[(4-hydroxycyclohexyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115149457
6-[2,3-dihydroxypropyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115122051
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
2-amino-3-[methyl-(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115240611
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083
6-[(3-hydroxy-2,2-dimethylpropyl)-methylamino]-3H-1,3-benzoxazol-2-one
CID 115135265
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one
CID 126621176
5-[2-chloroethyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115214763

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one (CID 117043939) is 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one is CC(C)N(C)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is GGYZWWQOOCLPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(2)13(3)8-4-5-9-10(6-8)15-11(14)12-9/h4-7H,1-3H3,(H,12,14).
What are the key properties of 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 117043939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).