N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide

C26H20N4O3 — CID 42213581

IUPACN-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
SMILESCc1oc(-c2cccc(NC(=O)c3ccccn3)c2)nc1CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C26H20N4O3/c1-18-23(17-28-24(31)14-13-19-8-3-2-4-9-19)30-26(33-18)20-10-7-11-21(16-20)29-25(32)22-12-5-6-15-27-22/h2-12,15-16H,17H2,1H3,(H,28,31)(H,29,32)
InChIKeyGSGHIBYLWROCJL-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.97
Rot. Bonds5

About N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide

N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 42213581) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID42213581
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC NameN-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
SMILESCc1oc(-c2cccc(NC(=O)c3ccccn3)c2)nc1CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C26H20N4O3/c1-18-23(17-28-24(31)14-13-19-8-3-2-4-9-19)30-26(33-18)20-10-7-11-21(16-20)29-25(32)22-12-5-6-15-27-22/h2-12,15-16H,17H2,1H3,(H,28,31)(H,29,32)
InChIKeyGSGHIBYLWROCJL-UHFFFAOYSA-N
XLogP3.97
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42247588
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 47067341
N-[3-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42165935
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 118753949
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
N-[[2-[3-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-4-(2-methylpropyl)benzamide
CID 42166903

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide (CID 42213581) is N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide is Cc1oc(-c2cccc(NC(=O)c3ccccn3)c2)nc1CNC(=O)C#Cc1ccccc1.
What is the InChIKey of N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is GSGHIBYLWROCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-18-23(17-28-24(31)14-13-19-8-3-2-4-9-19)30-26(33-18)20-10-7-11-21(16-20)29-25(32)22-12-5-6-15-27-22/h2-12,15-16H,17H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide?
N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 42213581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).