5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H22N6O2 — CID 119782264

IUPAC5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCc2coc(-c3ccccc3)n2)nnn1C1CCNCC1
InChIInChI=1S/C19H22N6O2/c1-13-17(23-24-25(13)16-7-9-20-10-8-16)18(26)21-11-15-12-27-19(22-15)14-5-3-2-4-6-14/h2-6,12,16,20H,7-11H2,1H3,(H,21,26)
InChIKeyAGZRUDTTYCIXDN-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.10
Rot. Bonds5

About 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119782264) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119782264
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCc2coc(-c3ccccc3)n2)nnn1C1CCNCC1
InChIInChI=1S/C19H22N6O2/c1-13-17(23-24-25(13)16-7-9-20-10-8-16)18(26)21-11-15-12-27-19(22-15)14-5-3-2-4-6-14/h2-6,12,16,20H,7-11H2,1H3,(H,21,26)
InChIKeyAGZRUDTTYCIXDN-UHFFFAOYSA-N
XLogP2.10
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119772189
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119691733
5-methyl-N-[(2-phenyloxan-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119741480
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718313
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 119697678
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812798

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119782264) is 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCc2coc(-c3ccccc3)n2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is AGZRUDTTYCIXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-17(23-24-25(13)16-7-9-20-10-8-16)18(26)21-11-15-12-27-19(22-15)14-5-3-2-4-6-14/h2-6,12,16,20H,7-11H2,1H3,(H,21,26).
What are the key properties of 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119782264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).