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

C20H24N4O3 — CID 19492461

IUPAC5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)c1noc(C)c1COc1ccc(C)cc1
InChIInChI=1S/C20H24N4O3/c1-5-10-24-18(11-14(3)22-24)21-20(25)19-17(15(4)27-23-19)12-26-16-8-6-13(2)7-9-16/h6-9,11H,5,10,12H2,1-4H3,(H,21,25)
InChIKeyXTPCTPYRSSCIPD-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.04
Rot. Bonds7

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

5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 19492461) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID19492461
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)c1noc(C)c1COc1ccc(C)cc1
InChIInChI=1S/C20H24N4O3/c1-5-10-24-18(11-14(3)22-24)21-20(25)19-17(15(4)27-23-19)12-26-16-8-6-13(2)7-9-16/h6-9,11H,5,10,12H2,1-4H3,(H,21,25)
InChIKeyXTPCTPYRSSCIPD-UHFFFAOYSA-N
XLogP4.04
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 19492460
4-[(3-chlorophenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444167
N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488534
N-(2-ethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492323
5-methyl-4-[(4-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488545
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486450
4-[(3,4-dimethylphenoxy)methyl]-N-[1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445203
4-[(4-ethylphenoxy)methyl]-5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19444565
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19492393
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 19492461) is 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is CCCn1nc(C)cc1NC(=O)c1noc(C)c1COc1ccc(C)cc1.
What is the InChIKey of 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XTPCTPYRSSCIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-10-24-18(11-14(3)22-24)21-20(25)19-17(15(4)27-23-19)12-26-16-8-6-13(2)7-9-16/h6-9,11H,5,10,12H2,1-4H3,(H,21,25).
What are the key properties of 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).