N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

C18H17N3O3 — CID 111335201

IUPACN-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc(-c2ccncc2)on1)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-18(23,14-5-3-2-4-6-14)12-20-17(22)15-11-16(24-21-15)13-7-9-19-10-8-13/h2-11,23H,12H2,1H3,(H,20,22)
InChIKeyVIOKNHJGLHVVAC-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.37
Rot. Bonds5

About N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 111335201) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID111335201
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc(-c2ccncc2)on1)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-18(23,14-5-3-2-4-6-14)12-20-17(22)15-11-16(24-21-15)13-7-9-19-10-8-13/h2-11,23H,12H2,1H3,(H,20,22)
InChIKeyVIOKNHJGLHVVAC-UHFFFAOYSA-N
XLogP2.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 96521382
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801
N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112845456
N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51943596
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
N-[(3-phenoxyphenyl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838913
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 111335201) is N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is CC(O)(CNC(=O)c1cc(-c2ccncc2)on1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VIOKNHJGLHVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-18(23,14-5-3-2-4-6-14)12-20-17(22)15-11-16(24-21-15)13-7-9-19-10-8-13/h2-11,23H,12H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 111335201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).