N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H22N2O3 — CID 1246663

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C17H22N2O3/c1-10-15(11(2)22-19-10)16(20)18-13-9-12(17(3,4)5)7-8-14(13)21-6/h7-9H,1-6H3,(H,18,20)
InChIKeyHOFZBEATRCYGFE-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.85
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1246663) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1246663
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C17H22N2O3/c1-10-15(11(2)22-19-10)16(20)18-13-9-12(17(3,4)5)7-8-14(13)21-6/h7-9H,1-6H3,(H,18,20)
InChIKeyHOFZBEATRCYGFE-UHFFFAOYSA-N
XLogP3.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1246663) is N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)noc1C.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HOFZBEATRCYGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10-15(11(2)22-19-10)16(20)18-13-9-12(17(3,4)5)7-8-14(13)21-6/h7-9H,1-6H3,(H,18,20).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1246663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).