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

C23H22N4O3 — CID 19488566

IUPACN-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)noc2C)cc1
InChIInChI=1S/C23H22N4O3/c1-16-8-10-20(11-9-16)29-15-21-17(2)30-26-22(21)23(28)25-19-12-24-27(14-19)13-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,25,28)
InChIKeyDDUCYTYFBYFUMD-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.37
Rot. Bonds7

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

N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19488566) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19488566
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)noc2C)cc1
InChIInChI=1S/C23H22N4O3/c1-16-8-10-20(11-9-16)29-15-21-17(2)30-26-22(21)23(28)25-19-12-24-27(14-19)13-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,25,28)
InChIKeyDDUCYTYFBYFUMD-UHFFFAOYSA-N
XLogP4.37
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443682
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492351
N-(1-benzylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483918
4-[(4-ethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444620
4-[(4-chlorophenoxy)methyl]-N-(1-ethylpyrazol-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443858
4-[(4-chlorophenoxy)methyl]-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443868
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442899
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443754
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484129
N-[4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19488145
4-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444819
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486327

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19488566) is N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)noc2C)cc1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DDUCYTYFBYFUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16-8-10-20(11-9-16)29-15-21-17(2)30-26-22(21)23(28)25-19-12-24-27(14-19)13-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,25,28).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).