4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide

C19H21N5O2 — CID 126772218

IUPAC4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)NC(C)c1nnc2n1CCCC2
InChIInChI=1S/C19H21N5O2/c1-12-16(26-19(21-12)14-8-4-3-5-9-14)18(25)20-13(2)17-23-22-15-10-6-7-11-24(15)17/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,20,25)
InChIKeyNRPLCVJSQBLHJH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.07
Rot. Bonds4

About 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide

4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 126772218) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
PubChem CID126772218
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)NC(C)c1nnc2n1CCCC2
InChIInChI=1S/C19H21N5O2/c1-12-16(26-19(21-12)14-8-4-3-5-9-14)18(25)20-13(2)17-23-22-15-10-6-7-11-24(15)17/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,20,25)
InChIKeyNRPLCVJSQBLHJH-UHFFFAOYSA-N
XLogP3.07
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
CID 60715577
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyridine-2-carboxamide
CID 95130586
N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 95155743
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-phenoxybenzamide
CID 95200827
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80711198
2,2-difluoro-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 103515063
6-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 62233467
3-fluoro-4-methyl-N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 37168940
3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133492824
2-(2-chlorophenyl)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 37172997
4-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
CID 43698122
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62038414

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide (CID 126772218) is 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)oc1C(=O)NC(C)c1nnc2n1CCCC2.
What is the InChIKey of 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is NRPLCVJSQBLHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-16(26-19(21-12)14-8-4-3-5-9-14)18(25)20-13(2)17-23-22-15-10-6-7-11-24(15)17/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,20,25).
What are the key properties of 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide?
4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126772218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).