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

C10H10N2O — CID 17390284

IUPAC5-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)12-13-9/h2-6H,1H3,(H2,11,12)
InChIKeyBYGXGLCNHQZMBR-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.23
Rot. Bonds1

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

5-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 17390284) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID17390284
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)12-13-9/h2-6H,1H3,(H2,11,12)
InChIKeyBYGXGLCNHQZMBR-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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Related Compounds

3-Methyl-5-phenylisoxazole
CID 136804
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
5-(P-Tolyl)isoxazole
CID 270015
3,5-Bis(4-amidinophenyl)isoxazole
CID 439104
3-[3-(4-Carbamimidoylphenyl)isoxazol-5-yl]benzamidine
CID 9966266
3-[5-(4-Carbamimidoylphenyl)isoxazol-3-yl]benzamidine
CID 11483558
N'-propan-2-yl-4-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,2-oxazol-5-yl]benzenecarboximidamide
CID 11990767
4-(5-Phenyl-1,2-oxazol-3-yl)benzenecarboximidamide
CID 16658982
5-Phenyl-1,2-oxazol-3-amine
CID 3620792
(5-Phenylisoxazol-3-yl)acetonitrile
CID 33676789
4-(3-Phenyl-1,2-oxazol-5-yl)benzenecarboximidamide
CID 11990396
1-[4-(3,5-Dimethyl-1,2-oxazol-4-yl)phenyl]ethan-1-one
CID 19596259

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-methylphenyl)-1,2-oxazol-3-amine (CID 17390284) is 5-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2cc(N)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is BYGXGLCNHQZMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-2-4-8(5-3-7)9-6-10(11)12-13-9/h2-6H,1H3,(H2,11,12).
What are the key properties of 5-(4-methylphenyl)-1,2-oxazol-3-amine?
5-(4-methylphenyl)-1,2-oxazol-3-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 5-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 17390284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).