2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine

C15H20N2O — CID 95456693

IUPAC2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine
SMILESCC(C)Cc1ccc(-c2oncc2CCN)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)9-12-3-5-13(6-4-12)15-14(7-8-16)10-17-18-15/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyNOOJJMLTUCJJDK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.04
Rot. Bonds5

About 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine

2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine (PubChem CID 95456693) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine
PubChem CID95456693
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine
SMILESCC(C)Cc1ccc(-c2oncc2CCN)cc1
InChIInChI=1S/C15H20N2O/c1-11(2)9-12-3-5-13(6-4-12)15-14(7-8-16)10-17-18-15/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyNOOJJMLTUCJJDK-UHFFFAOYSA-N
XLogP3.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 95456243
N-[[5-(4-ethylphenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65239931
2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 116868361
[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239749
2-[5-(5-methyl-1H-pyrazol-3-yl)-1,2-oxazol-4-yl]ethanamine
CID 131522740
4-[4-(aminomethyl)-1,2-oxazol-5-yl]benzonitrile
CID 65239471
[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 97032664
5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 143746738
3-[5-(4-methylsulfonylphenyl)-1,2-oxazol-4-yl]propan-1-ol
CID 22221077
N-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 65240224
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine (CID 95456693) is 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine is CC(C)Cc1ccc(-c2oncc2CCN)cc1.
What is the InChIKey of 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine?
The InChIKey is NOOJJMLTUCJJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)9-12-3-5-13(6-4-12)15-14(7-8-16)10-17-18-15/h3-6,10-11H,7-9,16H2,1-2H3.
What are the key properties of 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine?
2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 95456693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).