4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide

C22H24N2O4 — CID 19443211

IUPAC4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2c(C(=O)Nc3ccc(C(C)C)cc3)noc2C)cc1
InChIInChI=1S/C22H24N2O4/c1-14(2)16-5-7-17(8-6-16)23-22(25)21-20(15(3)28-24-21)13-27-19-11-9-18(26-4)10-12-19/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKeySKHAEQRPDFTKGL-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.95
Rot. Bonds7

About 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide

4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19443211) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID19443211
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2c(C(=O)Nc3ccc(C(C)C)cc3)noc2C)cc1
InChIInChI=1S/C22H24N2O4/c1-14(2)16-5-7-17(8-6-16)23-22(25)21-20(15(3)28-24-21)13-27-19-11-9-18(26-4)10-12-19/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKeySKHAEQRPDFTKGL-UHFFFAOYSA-N
XLogP4.95
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
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-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445305
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19443181
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 19445338
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486112
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide (CID 19443211) is 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(OCc2c(C(=O)Nc3ccc(C(C)C)cc3)noc2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SKHAEQRPDFTKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)16-5-7-17(8-6-16)23-22(25)21-20(15(3)28-24-21)13-27-19-11-9-18(26-4)10-12-19/h5-12,14H,13H2,1-4H3,(H,23,25).
What are the key properties of 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide?
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).