N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C25H30N2O3 — CID 19443024

IUPACN-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1OCc1c(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)noc1C
InChIInChI=1S/C25H30N2O3/c1-16-9-7-8-10-22(16)29-15-21-18(3)30-27-23(21)24(28)26-17(2)19-11-13-20(14-12-19)25(4,5)6/h7-14,17H,15H2,1-6H3,(H,26,28)
InChIKeyXEJZXHFSMHURAF-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.66
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19443024) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19443024
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1OCc1c(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)noc1C
InChIInChI=1S/C25H30N2O3/c1-16-9-7-8-10-22(16)29-15-21-18(3)30-27-23(21)24(28)26-17(2)19-11-13-20(14-12-19)25(4,5)6/h7-14,17H,15H2,1-6H3,(H,26,28)
InChIKeyXEJZXHFSMHURAF-UHFFFAOYSA-N
XLogP5.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492614
4-[(2,6-dimethylphenoxy)methyl]-5-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19486087
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486112
4-[(4-fluorophenoxy)methyl]-5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 19445345
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442893
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 30479639
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
N-[1-(4-bromophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006031
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576
N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442275
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19443024) is N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1ccccc1OCc1c(C(=O)NC(C)c2ccc(C(C)(C)C)cc2)noc1C.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XEJZXHFSMHURAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-16-9-7-8-10-22(16)29-15-21-18(3)30-27-23(21)24(28)26-17(2)19-11-13-20(14-12-19)25(4,5)6/h7-14,17H,15H2,1-6H3,(H,26,28).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).