5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide

C20H19N5O3 — CID 91947614

IUPAC5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCc3nnc4ccccn34)no2)cc1
InChIInChI=1S/C20H19N5O3/c1-27-15-9-7-14(8-10-15)17-13-16(24-28-17)20(26)21-11-4-6-19-23-22-18-5-2-3-12-25(18)19/h2-3,5,7-10,12-13H,4,6,11H2,1H3,(H,21,26)
InChIKeyXCFXGSGWYUJQSN-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.76
Rot. Bonds7

About 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 91947614) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID91947614
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCc3nnc4ccccn34)no2)cc1
InChIInChI=1S/C20H19N5O3/c1-27-15-9-7-14(8-10-15)17-13-16(24-28-17)20(26)21-11-4-6-19-23-22-18-5-2-3-12-25(18)19/h2-3,5,7-10,12-13H,4,6,11H2,1H3,(H,21,26)
InChIKeyXCFXGSGWYUJQSN-UHFFFAOYSA-N
XLogP2.76
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 91793630
2-(4-methoxyphenyl)-4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 18128574
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
2-propyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,3-thiazole-4-carboxamide
CID 118782263
3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
(3S)-7-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97152619
6-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 70711892

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide (CID 91947614) is 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCCCc3nnc4ccccn34)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XCFXGSGWYUJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-27-15-9-7-14(8-10-15)17-13-16(24-28-17)20(26)21-11-4-6-19-23-22-18-5-2-3-12-25(18)19/h2-3,5,7-10,12-13H,4,6,11H2,1H3,(H,21,26).
What are the key properties of 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91947614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).