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

C16H20N2O2 — CID 110684721

IUPACN-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2cccc(C)c2C)o1
InChIInChI=1S/C16H20N2O2/c1-9(2)14-15(20-12(5)17-14)16(19)18-13-8-6-7-10(3)11(13)4/h6-9H,1-5H3,(H,18,19)
InChIKeyPJKFZCUCFZHSON-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.98
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684721) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684721
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2cccc(C)c2C)o1
InChIInChI=1S/C16H20N2O2/c1-9(2)14-15(20-12(5)17-14)16(19)18-13-8-6-7-10(3)11(13)4/h6-9H,1-5H3,(H,18,19)
InChIKeyPJKFZCUCFZHSON-UHFFFAOYSA-N
XLogP3.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 110684765
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 82108737
N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080190
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684731
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110684721) is N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is Cc1nc(C(C)C)c(C(=O)Nc2cccc(C)c2C)o1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is PJKFZCUCFZHSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9(2)14-15(20-12(5)17-14)16(19)18-13-8-6-7-10(3)11(13)4/h6-9H,1-5H3,(H,18,19).
What are the key properties of N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).