6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one

C12H16N2O2 — CID 82494051

IUPAC6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(CC(C)(C)N)ccc21
InChIInChI=1S/C12H16N2O2/c1-12(2,13)7-8-4-5-9-10(6-8)16-11(15)14(9)3/h4-6H,7,13H2,1-3H3
InChIKeyYLENRAJJTZQYLN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.41
Rot. Bonds2

About 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one

6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 82494051) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID82494051
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(CC(C)(C)N)ccc21
InChIInChI=1S/C12H16N2O2/c1-12(2,13)7-8-4-5-9-10(6-8)16-11(15)14(9)3/h4-6H,7,13H2,1-3H3
InChIKeyYLENRAJJTZQYLN-UHFFFAOYSA-N
XLogP1.41
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
CID 116843407
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
2-methyl-2-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethylamino]propanenitrile
CID 115129616
6-[[aminomethyl(methyl)amino]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115225940
3,3-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786656
6-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932681
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
CID 116926141
6-[2-(aminomethyl)-3-methylbutyl]-3-methyl-1,3-benzoxazol-2-one
CID 116931129
6-(diazenylmethyl)-3-methyl-1,3-benzoxazol-2-one
CID 89345926
2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 115162152
6-(1,1-difluoroethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116841588
6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 115120866

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one (CID 82494051) is 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(CC(C)(C)N)ccc21.
What is the InChIKey of 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is YLENRAJJTZQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,13)7-8-4-5-9-10(6-8)16-11(15)14(9)3/h4-6H,7,13H2,1-3H3.
What are the key properties of 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one?
6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82494051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).