N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C15H18N2O2 — CID 3076174

IUPACN-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C15H18N2O2/c1-9(2)13-8-12(17-19-13)15(18)16-14-10(3)6-5-7-11(14)4/h5-9H,1-4H3,(H,16,18)
InChIKeyYCXHSHYWPDLECN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.67
Rot. Bonds3

About N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3076174) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3076174
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C15H18N2O2/c1-9(2)13-8-12(17-19-13)15(18)16-14-10(3)6-5-7-11(14)4/h5-9H,1-4H3,(H,16,18)
InChIKeyYCXHSHYWPDLECN-UHFFFAOYSA-N
XLogP3.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 3073010
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863
N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 163522026
N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3073016
5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 75514521
5-propan-2-yl-N-quinolin-8-yl-1,2-oxazole-3-carboxamide
CID 75538115
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341535
N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576927
N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 86781581
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 3076174) is N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(C(C)C)on1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is YCXHSHYWPDLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)13-8-12(17-19-13)15(18)16-14-10(3)6-5-7-11(14)4/h5-9H,1-4H3,(H,16,18).
What are the key properties of N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3076174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).