N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide

C17H17ClN4O2 — CID 5308012

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1Cl
InChIInChI=1S/C17H17ClN4O2/c1-10-14(18)16(24-21-10)17(23)19-15-11(2)20-22(12(15)3)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyZLOIXOCJCZQADM-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.75
Rot. Bonds4

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 5308012) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID5308012
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1Cl
InChIInChI=1S/C17H17ClN4O2/c1-10-14(18)16(24-21-10)17(23)19-15-11(2)20-22(12(15)3)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyZLOIXOCJCZQADM-UHFFFAOYSA-N
XLogP3.75
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide (CID 5308012) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1Cl.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZLOIXOCJCZQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-14(18)16(24-21-10)17(23)19-15-11(2)20-22(12(15)3)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,19,23).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 5308012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).