N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C28H23N3O3 — CID 18510682

IUPACN-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)C1CC(c2cccnc2)=NO1
InChIInChI=1S/C28H23N3O3/c32-27(26-18-25(31-34-26)20-8-7-17-29-19-20)30-24-15-13-23(14-16-24)28(33,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-17,19,26,33H,18H2,(H,30,32)
InChIKeyQLSPGASZGJFAIM-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.50
Rot. Bonds6

About N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 18510682) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID18510682
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC NameN-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)C1CC(c2cccnc2)=NO1
InChIInChI=1S/C28H23N3O3/c32-27(26-18-25(31-34-26)20-8-7-17-29-19-20)30-24-15-13-23(14-16-24)28(33,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-17,19,26,33H,18H2,(H,30,32)
InChIKeyQLSPGASZGJFAIM-UHFFFAOYSA-N
XLogP4.50
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-cyano-3-hydroxy-1-phenylpropyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510768
N-(4-benzylphenyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 18510700
(5S)-N-[4-[chloro(phenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194040
N-[4-(2-amino-1-morpholin-4-yl-2-oxo-1-phenylethyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide;hydrate
CID 18510744
2-phenyl-2-[4-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]phenyl]acetyl chloride
CID 86590906
1-phenyl-3-[[(5R)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]urea
CID 1481517
(5S)-N-[4-[(2-chlorophenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 69194046
methane;N-methyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 158928882
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
(5S)-N-[4-[[(Z)-4-methylpentan-2-ylideneamino]oxy-phenylmethyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 87729596
(5R)-N'-(benzenesulfonyl)-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 1485121
3-[4-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]phenyl]propanoic acid
CID 99607682

Frequently Asked Questions

What is the IUPAC name of N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 18510682) is N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)C1CC(c2cccnc2)=NO1.
What is the InChIKey of N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QLSPGASZGJFAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c32-27(26-18-25(31-34-26)20-8-7-17-29-19-20)30-24-15-13-23(14-16-24)28(33,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-17,19,26,33H,18H2,(H,30,32).
What are the key properties of N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxy(diphenyl)methyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18510682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).