2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine

C12H16N2O — CID 28675901

IUPAC2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCC(C)C)ccc2o1
InChIInChI=1S/C12H16N2O/c1-8(2)7-13-10-4-5-12-11(6-10)14-9(3)15-12/h4-6,8,13H,7H2,1-3H3
InChIKeyVOGADYIVDQIQFO-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.20
Rot. Bonds3

About 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine

2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine (PubChem CID 28675901) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
PubChem CID28675901
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCC(C)C)ccc2o1
InChIInChI=1S/C12H16N2O/c1-8(2)7-13-10-4-5-12-11(6-10)14-9(3)15-12/h4-6,8,13H,7H2,1-3H3
InChIKeyVOGADYIVDQIQFO-UHFFFAOYSA-N
XLogP3.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115219748
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 17456697
4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115218475
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
CID 115120319
2-amino-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115241048
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine
CID 62066523
2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 115229812

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine (CID 28675901) is 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine is Cc1nc2cc(NCC(C)C)ccc2o1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine?
The InChIKey is VOGADYIVDQIQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)7-13-10-4-5-12-11(6-10)14-9(3)15-12/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine?
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine has a molecular weight of 204.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 28675901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).