[3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol

C16H15N3O2 — CID 84595089

IUPAC[3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol
SMILESC1=CC=C(C=C1)C2=NC(=CO2)CNC3=C(C=CN=C3)CO
InChIInChI=1S/C16H15N3O2/c20-10-13-6-7-17-9-15(13)18-8-14-11-21-16(19-14)12-4-2-1-3-5-12/h1-7,9,11,18,20H,8,10H2
InChIKeyPPARMRUDQNGOCJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.10
Rot. Bonds5

About [3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol

[3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol (PubChem CID 84595089) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is [3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol
PubChem CID84595089
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name[3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol
SMILESC1=CC=C(C=C1)C2=NC(=CO2)CNC3=C(C=CN=C3)CO
InChIInChI=1S/C16H15N3O2/c20-10-13-6-7-17-9-15(13)18-8-14-11-21-16(19-14)12-4-2-1-3-5-12/h1-7,9,11,18,20H,8,10H2
InChIKeyPPARMRUDQNGOCJ-UHFFFAOYSA-N
XLogP2.10
TPSA71.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity310

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol?
The IUPAC name of [3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol (CID 84595089) is [3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol is C1=CC=C(C=C1)C2=NC(=CO2)CNC3=C(C=CN=C3)CO.
What is the InChIKey of [3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol?
The InChIKey is PPARMRUDQNGOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-10-13-6-7-17-9-15(13)18-8-14-11-21-16(19-14)12-4-2-1-3-5-12/h1-7,9,11,18,20H,8,10H2.
What are the key properties of [3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol?
[3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol has a molecular weight of 281.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-Phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 84595089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).