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

C17H17ClN4O2 — CID 19442052

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCCc2ccccc2)c1Cn1cc(Cl)cn1
InChIInChI=1S/C17H17ClN4O2/c1-12-15(11-22-10-14(18)9-20-22)16(21-24-12)17(23)19-8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,23)
InChIKeyQICKUSJENFXBOD-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.85
Rot. Bonds6

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

4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 19442052) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID19442052
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCCc2ccccc2)c1Cn1cc(Cl)cn1
InChIInChI=1S/C17H17ClN4O2/c1-12-15(11-22-10-14(18)9-20-22)16(21-24-12)17(23)19-8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,23)
InChIKeyQICKUSJENFXBOD-UHFFFAOYSA-N
XLogP2.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19441991
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-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19441945
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
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-propylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19442053
4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19444042
4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
CID 19441938
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19441940
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
N-(1-benzylpyrazol-4-yl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443682
4-[(4-chlorophenoxy)methyl]-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443868
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490613

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (CID 19442052) is 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NCCc2ccccc2)c1Cn1cc(Cl)cn1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QICKUSJENFXBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-12-15(11-22-10-14(18)9-20-22)16(21-24-12)17(23)19-8-7-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,19,23).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19442052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).