1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine

C10H12N2O — CID 105436496

IUPAC1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine
SMILESCc1onc2ccc(C(C)N)cc12
InChIInChI=1S/C10H12N2O/c1-6(11)8-3-4-10-9(5-8)7(2)13-12-10/h3-6H,11H2,1-2H3
InChIKeyBHDZCCRBWRFZLC-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.16
Rot. Bonds1

About 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine

1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine (PubChem CID 105436496) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine
PubChem CID105436496
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine
SMILESCc1onc2ccc(C(C)N)cc12
InChIInChI=1S/C10H12N2O/c1-6(11)8-3-4-10-9(5-8)7(2)13-12-10/h3-6H,11H2,1-2H3
InChIKeyBHDZCCRBWRFZLC-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methylpropyl)-2,1-benzoxazol-6-yl]ethanamine
CID 105472813
1-(3-propan-2-yl-1,2-benzoxazol-6-yl)ethanamine
CID 105456484
(1R)-1-(2H-benzotriazol-5-yl)ethanamine
CID 66637123
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-(3-cyclobutyl-1,2-benzoxazol-6-yl)ethanamine
CID 105470013
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
ethane;3-methyl-[1,2]oxazolo[4,3-c]pyridine
CID 144656044
1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride
CID 68842404
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
(1R)-1-[(3Z,4Z)-3,4-di(ethylidene)cyclohexa-1,5-dien-1-yl]ethanamine
CID 137469972
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine?
The IUPAC name of 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine (CID 105436496) is 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine is Cc1onc2ccc(C(C)N)cc12.
What is the InChIKey of 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine?
The InChIKey is BHDZCCRBWRFZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6(11)8-3-4-10-9(5-8)7(2)13-12-10/h3-6H,11H2,1-2H3.
What are the key properties of 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine?
1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine has a molecular weight of 176.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,1-benzoxazol-5-yl)ethanamine is sourced from PubChem (CID 105436496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).