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

C17H22N2O2 — CID 2441877

IUPACN-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-6-14-15(11(2)19-21-14)16(20)18-13-9-7-12(8-10-13)17(3,4)5/h7-10H,6H2,1-5H3,(H,18,20)
InChIKeyOBYVTSRDWSHKCE-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.10
Rot. Bonds3

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

N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2441877) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID2441877
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-6-14-15(11(2)19-21-14)16(20)18-13-9-7-12(8-10-13)17(3,4)5/h7-10H,6H2,1-5H3,(H,18,20)
InChIKeyOBYVTSRDWSHKCE-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760658
N-[4-(dimethylcarbamoyl)phenyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112794910
5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2571454
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112759204
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112764952
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (CID 2441877) is N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OBYVTSRDWSHKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-6-14-15(11(2)19-21-14)16(20)18-13-9-7-12(8-10-13)17(3,4)5/h7-10H,6H2,1-5H3,(H,18,20).
What are the key properties of N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2441877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).