4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine

C13H16N2O — CID 62365708

IUPAC4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESCc1cccc(CCc2noc(N)c2C)c1
InChIInChI=1S/C13H16N2O/c1-9-4-3-5-11(8-9)6-7-12-10(2)13(14)16-15-12/h3-5,8H,6-7,14H2,1-2H3
InChIKeyVIQUBHNGINFIIQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.66
Rot. Bonds3

About 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine

4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine (PubChem CID 62365708) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine
PubChem CID62365708
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESCc1cccc(CCc2noc(N)c2C)c1
InChIInChI=1S/C13H16N2O/c1-9-4-3-5-11(8-9)6-7-12-10(2)13(14)16-15-12/h3-5,8H,6-7,14H2,1-2H3
InChIKeyVIQUBHNGINFIIQ-UHFFFAOYSA-N
XLogP2.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501391
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2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
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4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
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2-(3-methylphenyl)ethanolate
CID 142208639
2-[2-(3-methylphenyl)ethyl]-1,3-benzoxazol-7-amine
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2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
3-(3-methylphenyl)propan-1-amine
CID 12666388
2-[3-(3-methylphenyl)propyl]oxirane
CID 10931973
N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
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2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine (CID 62365708) is 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine is Cc1cccc(CCc2noc(N)c2C)c1.
What is the InChIKey of 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is VIQUBHNGINFIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-4-3-5-11(8-9)6-7-12-10(2)13(14)16-15-12/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine?
4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 216.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 62365708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).