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

C16H15ClN4O2 — CID 20868349

IUPACN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)on1
InChIInChI=1S/C16H15ClN4O2/c1-10-7-14(23-20-10)16(22)18-15-8-11(2)21(19-15)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
InChIKeyZPSAJYMAPUPZTI-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.44
Rot. Bonds4

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

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 20868349) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID20868349
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)on1
InChIInChI=1S/C16H15ClN4O2/c1-10-7-14(23-20-10)16(22)18-15-8-11(2)21(19-15)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
InChIKeyZPSAJYMAPUPZTI-UHFFFAOYSA-N
XLogP3.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 20868349) is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)on1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZPSAJYMAPUPZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-10-7-14(23-20-10)16(22)18-15-8-11(2)21(19-15)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20868349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).