(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine

C10H12N2O — CID 82229697

IUPAC(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCc1cc(C)c2nc(CN)oc2c1
InChIInChI=1S/C10H12N2O/c1-6-3-7(2)10-8(4-6)13-9(5-11)12-10/h3-4H,5,11H2,1-2H3
InChIKeyYPWADWXMKVHZBC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.90
Rot. Bonds1

About (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine

(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine (PubChem CID 82229697) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound Name(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
PubChem CID82229697
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCc1cc(C)c2nc(CN)oc2c1
InChIInChI=1S/C10H12N2O/c1-6-3-7(2)10-8(4-6)13-9(5-11)12-10/h3-4H,5,11H2,1-2H3
InChIKeyYPWADWXMKVHZBC-UHFFFAOYSA-N
XLogP1.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763
2-ethyl-4-methyl-1,3-benzoxazole-6-thiol
CID 142292435
2-cyclopentyl-4,6-dimethyl-1,3-benzoxazole
CID 82230679
[4-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82284932
(4,6,8-trimethylquinolin-2-yl)methanamine
CID 82573618
(4,6-dimethyl-1-benzofuran-2-yl)methanamine
CID 65439776
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
3-(5-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82233718
[5-(2,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82078799
(2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine
CID 82448590
4,6-dimethyl-1,3-benzoxazole
CID 19990338

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine (CID 82229697) is (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine is Cc1cc(C)c2nc(CN)oc2c1.
What is the InChIKey of (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is YPWADWXMKVHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-3-7(2)10-8(4-6)13-9(5-11)12-10/h3-4H,5,11H2,1-2H3.
What are the key properties of (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine?
(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 82229697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).