4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide

C19H22N6O2 — CID 120641655

IUPAC4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C19H22N6O2/c1-12-15(27-18(21-12)14-6-4-3-5-7-14)17(26)23-19-22-16(24-25(19)2)13-8-10-20-11-9-13/h3-7,13,20H,8-11H2,1-2H3,(H,22,23,24,26)
InChIKeyNGDQDYIRVONYEV-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.50
Rot. Bonds4

About 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide

4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 120641655) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID120641655
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C19H22N6O2/c1-12-15(27-18(21-12)14-6-4-3-5-7-14)17(26)23-19-22-16(24-25(19)2)13-8-10-20-11-9-13/h3-7,13,20H,8-11H2,1-2H3,(H,22,23,24,26)
InChIKeyNGDQDYIRVONYEV-UHFFFAOYSA-N
XLogP2.50
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide (CID 120641655) is 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)oc1C(=O)Nc1nc(C2CCNCC2)nn1C.
What is the InChIKey of 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is NGDQDYIRVONYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-15(27-18(21-12)14-6-4-3-5-7-14)17(26)23-19-22-16(24-25(19)2)13-8-10-20-11-9-13/h3-7,13,20H,8-11H2,1-2H3,(H,22,23,24,26).
What are the key properties of 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide?
4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 120641655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).