N,4-dimethyl-1,2-benzoxazol-3-amine

C9H10N2O — CID 119083756

IUPACN,4-dimethyl-1,2-benzoxazol-3-amine
SMILESCNc1noc2cccc(C)c12
InChIInChI=1S/C9H10N2O/c1-6-4-3-5-7-8(6)9(10-2)11-12-7/h3-5H,1-2H3,(H,10,11)
InChIKeyMIUJNFFDOIGRDR-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.18
Rot. Bonds1

About N,4-dimethyl-1,2-benzoxazol-3-amine

N,4-dimethyl-1,2-benzoxazol-3-amine (PubChem CID 119083756) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N,4-dimethyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-1,2-benzoxazol-3-amine
PubChem CID119083756
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN,4-dimethyl-1,2-benzoxazol-3-amine
SMILESCNc1noc2cccc(C)c12
InChIInChI=1S/C9H10N2O/c1-6-4-3-5-7-8(6)9(10-2)11-12-7/h3-5H,1-2H3,(H,10,11)
InChIKeyMIUJNFFDOIGRDR-UHFFFAOYSA-N
XLogP2.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1,2-benzoxazol-4-ol
CID 135429940
3-N-propan-2-yl-1,2-benzoxazole-3,4-diamine
CID 84663359
4-iodo-3-methyl-1,2-benzoxazole
CID 150470662
4-bromo-N,5-dimethylisoquinolin-1-amine
CID 82572195
6-bromo-N-methyl-1,2-benzoxazol-3-amine
CID 84690903
4-methyl-3-piperidin-3-yloxy-1,2-benzoxazole
CID 84695601
N-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
CID 129151482
N-(4-chloro-1,2-benzoxazol-3-yl)-2-methylbutanamide
CID 67409017
1-(1,2-benzoxazol-3-yl)-3-(2-methylphenyl)sulfanylurea
CID 87435497
bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)
CID 173166900
2-[4-[(2-methylphenyl)methoxy]-1,2-benzoxazol-3-yl]ethanol
CID 39097240
4-methyl-1,2-benzoxazol-3-one
CID 23063978

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1,2-benzoxazol-3-amine?
The IUPAC name of N,4-dimethyl-1,2-benzoxazol-3-amine (CID 119083756) is N,4-dimethyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for N,4-dimethyl-1,2-benzoxazol-3-amine?
The canonical SMILES for N,4-dimethyl-1,2-benzoxazol-3-amine is CNc1noc2cccc(C)c12.
What is the InChIKey of N,4-dimethyl-1,2-benzoxazol-3-amine?
The InChIKey is MIUJNFFDOIGRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-3-5-7-8(6)9(10-2)11-12-7/h3-5H,1-2H3,(H,10,11).
What are the key properties of N,4-dimethyl-1,2-benzoxazol-3-amine?
N,4-dimethyl-1,2-benzoxazol-3-amine has a molecular weight of 162.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 119083756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).