4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide

C19H21N5O3 — CID 55912809

IUPAC4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
SMILESO=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C19H21N5O3/c25-18(15-7-5-14(6-8-15)16-12-20-13-27-16)21-9-3-11-24-19(26)23-10-2-1-4-17(23)22-24/h5-8,12-13H,1-4,9-11H2,(H,21,25)
InChIKeyGLDJRJRRWNWKAM-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.86
Rot. Bonds6

About 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide

4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide (PubChem CID 55912809) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
PubChem CID55912809
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
SMILESO=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C19H21N5O3/c25-18(15-7-5-14(6-8-15)16-12-20-13-27-16)21-9-3-11-24-19(26)23-10-2-1-4-17(23)22-24/h5-8,12-13H,1-4,9-11H2,(H,21,25)
InChIKeyGLDJRJRRWNWKAM-UHFFFAOYSA-N
XLogP1.86
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.86
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

4-(2-oxopyrrolidin-1-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55766617
4-(diethylaminomethyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55858210
4-[4-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoyl]phenoxy]benzamide
CID 56548941
3-(methanesulfonamido)-4-methyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide
CID 55858336
N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 95180134
2-(4-chlorophenyl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 55766492
4-[[[ethylamino-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111874411
N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide
CID 47068182
2-(4-bromobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62935776
1-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56518932
2-iodo-N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]benzamide
CID 55867409
tert-butyl 4-[3-[[4-(1,3-oxazol-5-yl)benzoyl]amino]propyl]piperazine-1-carboxylate
CID 55912296

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide (CID 55912809) is 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide is O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide?
The InChIKey is GLDJRJRRWNWKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-18(15-7-5-14(6-8-15)16-12-20-13-27-16)21-9-3-11-24-19(26)23-10-2-1-4-17(23)22-24/h5-8,12-13H,1-4,9-11H2,(H,21,25).
What are the key properties of 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide?
4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]benzamide is sourced from PubChem (CID 55912809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).