[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
SMILESOCc1ccncc1NCc1coc(-c2ccccc2)n1
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
LogP2.84
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
SMILESOCc1ccncc1NCc1coc(-c2ccccc2)n1
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
XLogP2.84
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol
CID 75436061
5-(hydroxymethyl)-2-methyl-4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyridin-3-ol
CID 131891693
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60620242
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol
CID 111432763
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111980770
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70716417
6-chloro-4-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71996201
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43473610

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 OCc1ccncc1NCc1coc(-c2ccccc2)n1.
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 2.84, 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).