[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine

C14H18N2O — CID 82128528

IUPAC[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCc1onc(-c2ccc(C(C)C)cc2)c1CN
InChIInChI=1S/C14H18N2O/c1-9(2)11-4-6-12(7-5-11)14-13(8-15)10(3)17-16-14/h4-7,9H,8,15H2,1-3H3
InChIKeyODCNYYWBOJVYOH-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.23
Rot. Bonds3

About [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine

[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 82128528) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
PubChem CID82128528
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
SMILESCc1onc(-c2ccc(C(C)C)cc2)c1CN
InChIInChI=1S/C14H18N2O/c1-9(2)11-4-6-12(7-5-11)14-13(8-15)10(3)17-16-14/h4-7,9H,8,15H2,1-3H3
InChIKeyODCNYYWBOJVYOH-UHFFFAOYSA-N
XLogP3.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 82128657
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127036
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
[3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82284911
5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbonyl chloride
CID 13051603
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868091
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine (CID 82128528) is [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine is Cc1onc(-c2ccc(C(C)C)cc2)c1CN.
What is the InChIKey of [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is ODCNYYWBOJVYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)11-4-6-12(7-5-11)14-13(8-15)10(3)17-16-14/h4-7,9H,8,15H2,1-3H3.
What are the key properties of [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine?
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 82128528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).