5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide

C20H17N7O3 — CID 51117222

IUPAC5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1)n1cncn1
InChIInChI=1S/C20H17N7O3/c1-13(27-12-22-11-23-27)19(28)24-15-4-6-16(7-5-15)25-20(29)17-9-18(30-26-17)14-3-2-8-21-10-14/h2-13H,1H3,(H,24,28)(H,25,29)
InChIKeyXUPSRXDGOHYLSH-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.78
Rot. Bonds6

About 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide

5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 51117222) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID51117222
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1)n1cncn1
InChIInChI=1S/C20H17N7O3/c1-13(27-12-22-11-23-27)19(28)24-15-4-6-16(7-5-15)25-20(29)17-9-18(30-26-17)14-3-2-8-21-10-14/h2-13H,1H3,(H,24,28)(H,25,29)
InChIKeyXUPSRXDGOHYLSH-UHFFFAOYSA-N
XLogP2.78
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122245770
N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47052934
3-chloro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46402720
2-(4-chlorophenyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 46402676
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 71893214
N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 53051794
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
6-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-pyridazine-3-carboxamide
CID 43071048

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide (CID 51117222) is 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide is CC(C(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1)n1cncn1.
What is the InChIKey of 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XUPSRXDGOHYLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-13(27-12-22-11-23-27)19(28)24-15-4-6-16(7-5-15)25-20(29)17-9-18(30-26-17)14-3-2-8-21-10-14/h2-13H,1H3,(H,24,28)(H,25,29).
What are the key properties of 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide?
5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51117222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).