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

C17H17ClN4O2 — CID 19441991

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)c2ccccc2)c1Cn1cc(Cl)cn1
InChIInChI=1S/C17H17ClN4O2/c1-11(13-6-4-3-5-7-13)20-17(23)16-15(12(2)24-21-16)10-22-9-14(18)8-19-22/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyQKPIBZSTPHYBBQ-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.37
Rot. Bonds5

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

4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 19441991) 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-(1-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID19441991
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)c2ccccc2)c1Cn1cc(Cl)cn1
InChIInChI=1S/C17H17ClN4O2/c1-11(13-6-4-3-5-7-13)20-17(23)16-15(12(2)24-21-16)10-22-9-14(18)8-19-22/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyQKPIBZSTPHYBBQ-UHFFFAOYSA-N
XLogP3.37
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19442052
3-[(4-chloropyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082957
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
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
4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19486087
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19588620
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19441940
4-[(4-chloropyrazol-1-yl)methyl]-N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
CID 19441938
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
4-[(4-chlorophenoxy)methyl]-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443868
N-(1-benzylpyrazol-4-yl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443682

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide (CID 19441991) is 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC(C)c2ccccc2)c1Cn1cc(Cl)cn1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QKPIBZSTPHYBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11(13-6-4-3-5-7-13)20-17(23)16-15(12(2)24-21-16)10-22-9-14(18)8-19-22/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.37, 5 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-(1-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19441991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).