2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide

C20H16ClN5O2 — CID 165415302

IUPAC2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)oc1C(=O)Nc1cc(-c2ccccn2)nn1C
InChIInChI=1S/C20H16ClN5O2/c1-12-18(28-20(23-12)13-6-8-14(21)9-7-13)19(27)24-17-11-16(25-26(17)2)15-5-3-4-10-22-15/h3-11H,1-2H3,(H,24,27)
InChIKeyNPJCYNDLORQRKO-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.35
Rot. Bonds4

About 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide

2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 165415302) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID165415302
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)oc1C(=O)Nc1cc(-c2ccccn2)nn1C
InChIInChI=1S/C20H16ClN5O2/c1-12-18(28-20(23-12)13-6-8-14(21)9-7-13)19(27)24-17-11-16(25-26(17)2)15-5-3-4-10-22-15/h3-11H,1-2H3,(H,24,27)
InChIKeyNPJCYNDLORQRKO-UHFFFAOYSA-N
XLogP4.35
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide (CID 165415302) is 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)oc1C(=O)Nc1cc(-c2ccccn2)nn1C.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is NPJCYNDLORQRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-12-18(28-20(23-12)13-6-8-14(21)9-7-13)19(27)24-17-11-16(25-26(17)2)15-5-3-4-10-22-15/h3-11H,1-2H3,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide?
2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 165415302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).