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

C10H10N2O — CID 576446

IUPAC3-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,11H2,1H3
InChIKeyAPWSTGHORLJQPY-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.23
Rot. Bonds1

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

3-(4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 576446) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID576446
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,11H2,1H3
InChIKeyAPWSTGHORLJQPY-UHFFFAOYSA-N
XLogP2.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-methylphenyl)-1,2-oxazol-5-amine (CID 576446) is 3-(4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2cc(N)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is APWSTGHORLJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1,2-oxazol-5-amine?
3-(4-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 174.20 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 576446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).