5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide

C19H18N4O3 — CID 118877101

IUPAC5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cccnc1
InChIInChI=1S/C19H18N4O3/c24-18(15-8-4-9-20-13-15)21-10-5-11-22-19(25)16-12-17(26-23-16)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,21,24)(H,22,25)
InChIKeyFBNXNBJGECCWOQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.29
Rot. Bonds7

About 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 118877101) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
PubChem CID118877101
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cccnc1
InChIInChI=1S/C19H18N4O3/c24-18(15-8-4-9-20-13-15)21-10-5-11-22-19(25)16-12-17(26-23-16)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,21,24)(H,22,25)
InChIKeyFBNXNBJGECCWOQ-UHFFFAOYSA-N
XLogP2.29
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
CID 131991833
6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 146464367
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide (CID 118877101) is 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide is O=C(NCCCNC(=O)c1cc(-c2ccccc2)on1)c1cccnc1.
What is the InChIKey of 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FBNXNBJGECCWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-18(15-8-4-9-20-13-15)21-10-5-11-22-19(25)16-12-17(26-23-16)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,21,24)(H,22,25).
What are the key properties of 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118877101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).