4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C21H26N4O3 — CID 19445175

IUPAC4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)n1
InChIInChI=1S/C21H26N4O3/c1-6-25-10-9-19(23-25)15(4)22-21(26)20-18(16(5)28-24-20)12-27-17-8-7-13(2)14(3)11-17/h7-11,15H,6,12H2,1-5H3,(H,22,26)
InChIKeyKDWYQEFJTZZIEZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.89
Rot. Bonds7

About 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19445175) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19445175
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)n1
InChIInChI=1S/C21H26N4O3/c1-6-25-10-9-19(23-25)15(4)22-21(26)20-18(16(5)28-24-20)12-27-17-8-7-13(2)14(3)11-17/h7-11,15H,6,12H2,1-5H3,(H,22,26)
InChIKeyKDWYQEFJTZZIEZ-UHFFFAOYSA-N
XLogP3.89
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 19445132
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19417199
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 71651871
N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445000
4-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443791
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19445143
4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 19445345
4-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443815

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19445175) is 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is CCn1ccc(C(C)NC(=O)c2noc(C)c2COc2ccc(C)c(C)c2)n1.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KDWYQEFJTZZIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-6-25-10-9-19(23-25)15(4)22-21(26)20-18(16(5)28-24-20)12-27-17-8-7-13(2)14(3)11-17/h7-11,15H,6,12H2,1-5H3,(H,22,26).
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).