2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide

C17H22N2O3 — CID 110684741

IUPAC2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C17H22N2O3/c1-10(2)15-16(22-12(5)18-15)17(20)19-13-6-8-14(9-7-13)21-11(3)4/h6-11H,1-5H3,(H,19,20)
InChIKeyHBLLEBBDRLLCGM-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.15
Rot. Bonds5

About 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide

2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 110684741) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide
PubChem CID110684741
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C17H22N2O3/c1-10(2)15-16(22-12(5)18-15)17(20)19-13-6-8-14(9-7-13)21-11(3)4/h6-11H,1-5H3,(H,19,20)
InChIKeyHBLLEBBDRLLCGM-UHFFFAOYSA-N
XLogP4.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684758
N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684744
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684763
3-methyl-N-(4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110695656
N-(2,6-difluorophenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684790
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109097171
3-methyl-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide (CID 110684741) is 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide is Cc1nc(C(C)C)c(C(=O)Nc2ccc(OC(C)C)cc2)o1.
What is the InChIKey of 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is HBLLEBBDRLLCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10(2)15-16(22-12(5)18-15)17(20)19-13-6-8-14(9-7-13)21-11(3)4/h6-11H,1-5H3,(H,19,20).
What are the key properties of 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide?
2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).