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

C18H24N2O2 — CID 46823792

IUPAC3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(C(C)C)cc2)C(C)C)on1
InChIInChI=1S/C18H24N2O2/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)19-18(21)16-10-13(5)20-22-16/h6-12,17H,1-5H3,(H,19,21)
InChIKeyGISRLWBRRGMWSF-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.23
Rot. Bonds5

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

3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide (PubChem CID 46823792) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
PubChem CID46823792
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(c2ccc(C(C)C)cc2)C(C)C)on1
InChIInChI=1S/C18H24N2O2/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)19-18(21)16-10-13(5)20-22-16/h6-12,17H,1-5H3,(H,19,21)
InChIKeyGISRLWBRRGMWSF-UHFFFAOYSA-N
XLogP4.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51262709
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266
3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 38916927
N-(1-iodo-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107859861
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18143574
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 100717123
N-[2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119040347
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide (CID 46823792) is 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC(c2ccc(C(C)C)cc2)C(C)C)on1.
What is the InChIKey of 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide?
The InChIKey is GISRLWBRRGMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11(2)14-6-8-15(9-7-14)17(12(3)4)19-18(21)16-10-13(5)20-22-16/h6-12,17H,1-5H3,(H,19,21).
What are the key properties of 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46823792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).