5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide

C17H17ClN4O2 — CID 2745572

IUPAC5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1C(=O)NC(C)C
InChIInChI=1S/C17H17ClN4O2/c1-10(2)20-17(23)22-14(8-9-19-22)15-11(3)24-21-16(15)12-4-6-13(18)7-5-12/h4-10H,1-3H3,(H,20,23)
InChIKeyRQZHRQDYTBNDLO-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.13
Rot. Bonds3

About 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide

5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 2745572) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID2745572
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1C(=O)NC(C)C
InChIInChI=1S/C17H17ClN4O2/c1-10(2)20-17(23)22-14(8-9-19-22)15-11(3)24-21-16(15)12-4-6-13(18)7-5-12/h4-10H,1-3H3,(H,20,23)
InChIKeyRQZHRQDYTBNDLO-UHFFFAOYSA-N
XLogP4.13
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide (CID 2745572) is 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide is Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnn1C(=O)NC(C)C.
What is the InChIKey of 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is RQZHRQDYTBNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10(2)20-17(23)22-14(8-9-19-22)15-11(3)24-21-16(15)12-4-6-13(18)7-5-12/h4-10H,1-3H3,(H,20,23).
What are the key properties of 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide?
5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 2745572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).