N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide

C24H24N4O3 — CID 19486450

IUPACN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3noc(C)c3COc3ccccc3)c2)n1
InChIInChI=1S/C24H24N4O3/c1-16-12-17(2)28(26-16)14-19-8-7-9-20(13-19)25-24(29)23-22(18(3)31-27-23)15-30-21-10-5-4-6-11-21/h4-13H,14-15H2,1-3H3,(H,25,29)
InChIKeyXCONWEOZHZQSTH-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.68
Rot. Bonds7

About N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 19486450) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID19486450
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3noc(C)c3COc3ccccc3)c2)n1
InChIInChI=1S/C24H24N4O3/c1-16-12-17(2)28(26-16)14-19-8-7-9-20(13-19)25-24(29)23-22(18(3)31-27-23)15-30-21-10-5-4-6-11-21/h4-13H,14-15H2,1-3H3,(H,25,29)
InChIKeyXCONWEOZHZQSTH-UHFFFAOYSA-N
XLogP4.68
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490246
N-(1-benzyl-5-methylpyrazol-3-yl)-4-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486253
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451177
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443431
4-[(4-ethylphenoxy)methyl]-5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19444565
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444227
4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19444890
N-(1-benzyl-5-methylpyrazol-3-yl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19485953
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444262
5-methyl-4-[(2-methylphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443022
5-methyl-N-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488430
N-(1-benzylpyrazol-4-yl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488566

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide (CID 19486450) is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3noc(C)c3COc3ccccc3)c2)n1.
What is the InChIKey of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XCONWEOZHZQSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-12-17(2)28(26-16)14-19-8-7-9-20(13-19)25-24(29)23-22(18(3)31-27-23)15-30-21-10-5-4-6-11-21/h4-13H,14-15H2,1-3H3,(H,25,29).
What are the key properties of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19486450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).