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

C18H18N2O — CID 62365707

IUPAC3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine
SMILESCc1ccccc1CCc1noc(N)c1-c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13-7-5-6-8-14(13)11-12-16-17(18(19)21-20-16)15-9-3-2-4-10-15/h2-10H,11-12,19H2,1H3
InChIKeyVMXFFVHAYDQPCB-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.02
Rot. Bonds4

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

3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine (PubChem CID 62365707) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine
PubChem CID62365707
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine
SMILESCc1ccccc1CCc1noc(N)c1-c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13-7-5-6-8-14(13)11-12-16-17(18(19)21-20-16)15-9-3-2-4-10-15/h2-10H,11-12,19H2,1H3
InChIKeyVMXFFVHAYDQPCB-UHFFFAOYSA-N
XLogP4.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine (CID 62365707) is 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine is Cc1ccccc1CCc1noc(N)c1-c1ccccc1.
What is the InChIKey of 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is VMXFFVHAYDQPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-7-5-6-8-14(13)11-12-16-17(18(19)21-20-16)15-9-3-2-4-10-15/h2-10H,11-12,19H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine?
3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 278.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 62365707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).