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

C12H14N2O — CID 66198631

IUPAC4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cccc(C)c1
InChIInChI=1S/C12H14N2O/c1-3-10-11(15-14-12(10)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyFHYXALVCMWLZIC-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.79
Rot. Bonds2

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

4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198631) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198631
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1cccc(C)c1
InChIInChI=1S/C12H14N2O/c1-3-10-11(15-14-12(10)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyFHYXALVCMWLZIC-UHFFFAOYSA-N
XLogP2.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine (CID 66198631) is 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine is CCc1c(N)noc1-c1cccc(C)c1.
What is the InChIKey of 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is FHYXALVCMWLZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-10-11(15-14-12(10)13)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,13,14).
What are the key properties of 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine?
4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 202.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).