N-ethyl-5-methyl-1,3-benzoxazol-2-amine

C10H12N2O — CID 15684675

IUPACN-ethyl-5-methyl-1,3-benzoxazol-2-amine
SMILESCCNc1nc2cc(C)ccc2o1
InChIInChI=1S/C10H12N2O/c1-3-11-10-12-8-6-7(2)4-5-9(8)13-10/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyWZTXPRZVXJXDLM-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.57
Rot. Bonds2

About N-ethyl-5-methyl-1,3-benzoxazol-2-amine

N-ethyl-5-methyl-1,3-benzoxazol-2-amine (PubChem CID 15684675) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-ethyl-5-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1,3-benzoxazol-2-amine
PubChem CID15684675
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-ethyl-5-methyl-1,3-benzoxazol-2-amine
SMILESCCNc1nc2cc(C)ccc2o1
InChIInChI=1S/C10H12N2O/c1-3-11-10-12-8-6-7(2)4-5-9(8)13-10/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyWZTXPRZVXJXDLM-UHFFFAOYSA-N
XLogP2.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-methyl-1,3-benzoxazol-2-yl)propane-1,3-diamine
CID 83832910
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
5-methyl-N-(2H-triazol-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 95788176
2-bromo-1-[2-(ethylamino)-1,3-benzoxazol-5-yl]propan-1-one
CID 15750389
1-N-(6-methyl-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83832907
4-methyl-3-[2-[(5-methyl-1,3-benzoxazol-2-yl)amino]ethyl]-1H-1,2,4-triazol-5-one
CID 131940311
1-(5-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 60918146
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133480272
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine
CID 50879330

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-ethyl-5-methyl-1,3-benzoxazol-2-amine (CID 15684675) is N-ethyl-5-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-ethyl-5-methyl-1,3-benzoxazol-2-amine is CCNc1nc2cc(C)ccc2o1.
What is the InChIKey of N-ethyl-5-methyl-1,3-benzoxazol-2-amine?
The InChIKey is WZTXPRZVXJXDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-11-10-12-8-6-7(2)4-5-9(8)13-10/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-5-methyl-1,3-benzoxazol-2-amine?
N-ethyl-5-methyl-1,3-benzoxazol-2-amine has a molecular weight of 176.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 15684675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).