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

C19H19ClN6O2 — CID 19442053

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1c(NC(=O)c2noc(C)c2Cn2cc(Cl)cn2)nc2ccccc21
InChIInChI=1S/C19H19ClN6O2/c1-3-8-26-16-7-5-4-6-15(16)22-19(26)23-18(27)17-14(12(2)28-24-17)11-25-10-13(20)9-21-25/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23,27)
InChIKeyOKFYHRKAHLXIKB-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.89
Rot. Bonds6

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

4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 19442053) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID19442053
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1c(NC(=O)c2noc(C)c2Cn2cc(Cl)cn2)nc2ccccc21
InChIInChI=1S/C19H19ClN6O2/c1-3-8-26-16-7-5-4-6-15(16)22-19(26)23-18(27)17-14(12(2)28-24-17)11-25-10-13(20)9-21-25/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23,27)
InChIKeyOKFYHRKAHLXIKB-UHFFFAOYSA-N
XLogP3.89
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-fluorophenoxy)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445387
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19442052
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19441991
4-[(4-chlorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19443664
N-[4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442119
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19441945
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19441940
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide
CID 35523435
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19588620
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442061

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide (CID 19442053) is 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide is CCCn1c(NC(=O)c2noc(C)c2Cn2cc(Cl)cn2)nc2ccccc21.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OKFYHRKAHLXIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-3-8-26-16-7-5-4-6-15(16)22-19(26)23-18(27)17-14(12(2)28-24-17)11-25-10-13(20)9-21-25/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,23,27).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide?
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19442053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).