N-(4-methylphenyl)-1,2-oxazol-4-amine

C10H10N2O — CID 175558512

IUPACN-(4-methylphenyl)-1,2-oxazol-4-amine
SMILESCc1ccc(Nc2cnoc2)cc1
InChIInChI=1S/C10H10N2O/c1-8-2-4-9(5-3-8)12-10-6-11-13-7-10/h2-7,12H,1H3
InChIKeyGWYQEDDAUMBZSX-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.73
Rot. Bonds2

About N-(4-methylphenyl)-1,2-oxazol-4-amine

N-(4-methylphenyl)-1,2-oxazol-4-amine (PubChem CID 175558512) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,2-oxazol-4-amine
PubChem CID175558512
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-(4-methylphenyl)-1,2-oxazol-4-amine
SMILESCc1ccc(Nc2cnoc2)cc1
InChIInChI=1S/C10H10N2O/c1-8-2-4-9(5-3-8)12-10-6-11-13-7-10/h2-7,12H,1H3
InChIKeyGWYQEDDAUMBZSX-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,2-oxazol-4-amine?
The IUPAC name of N-(4-methylphenyl)-1,2-oxazol-4-amine (CID 175558512) is N-(4-methylphenyl)-1,2-oxazol-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-1,2-oxazol-4-amine?
The canonical SMILES for N-(4-methylphenyl)-1,2-oxazol-4-amine is Cc1ccc(Nc2cnoc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,2-oxazol-4-amine?
The InChIKey is GWYQEDDAUMBZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-2-4-9(5-3-8)12-10-6-11-13-7-10/h2-7,12H,1H3.
What are the key properties of N-(4-methylphenyl)-1,2-oxazol-4-amine?
N-(4-methylphenyl)-1,2-oxazol-4-amine has a molecular weight of 174.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 175558512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).