[4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine

C15H13N3O — CID 125466476

IUPAC[4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2cc(-c3ccccn3)on2)cc1
InChIInChI=1S/C15H13N3O/c16-10-11-4-6-12(7-5-11)14-9-15(19-18-14)13-3-1-2-8-17-13/h1-9H,10,16H2
InChIKeyAEZWXVPCBNISSX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.86
Rot. Bonds3

About [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine

[4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine (PubChem CID 125466476) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine
PubChem CID125466476
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name[4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2cc(-c3ccccn3)on2)cc1
InChIInChI=1S/C15H13N3O/c16-10-11-4-6-12(7-5-11)14-9-15(19-18-14)13-3-1-2-8-17-13/h1-9H,10,16H2
InChIKeyAEZWXVPCBNISSX-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine
CID 11993865
2-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazole
CID 9816180
5-[5-(4-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665015
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665126
5-[3-(6-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-5-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665246
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
N-benzyl-3-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methylamino]benzamide
CID 137656838
5-[5-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;hydrochloride
CID 76317404

Frequently Asked Questions

What is the IUPAC name of [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine?
The IUPAC name of [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine (CID 125466476) is [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine is NCc1ccc(-c2cc(-c3ccccn3)on2)cc1.
What is the InChIKey of [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine?
The InChIKey is AEZWXVPCBNISSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-11-4-6-12(7-5-11)14-9-15(19-18-14)13-3-1-2-8-17-13/h1-9H,10,16H2.
What are the key properties of [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine?
[4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine has a molecular weight of 251.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 125466476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).