5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide

C21H19N5O3 — CID 2738924

IUPAC5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCc2nn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H19N5O3/c1-14-18(25-26(24-14)16-6-4-3-5-7-16)12-22-21(27)19-20(29-13-23-19)15-8-10-17(28-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,22,27)
InChIKeyXQSPWVRPKGJIDF-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.17
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide

5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 2738924) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID2738924
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCc2nn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H19N5O3/c1-14-18(25-26(24-14)16-6-4-3-5-7-16)12-22-21(27)19-20(29-13-23-19)15-8-10-17(28-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,22,27)
InChIKeyXQSPWVRPKGJIDF-UHFFFAOYSA-N
XLogP3.17
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide (CID 2738924) is 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)NCc2nn(-c3ccccc3)nc2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XQSPWVRPKGJIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14-18(25-26(24-14)16-6-4-3-5-7-16)12-22-21(27)19-20(29-13-23-19)15-8-10-17(28-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,22,27).
What are the key properties of 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2738924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).