N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

C14H16N2O2 — CID 19589954

IUPACN-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc(C)c2C)cc1C
InChIInChI=1S/C14H16N2O2/c1-8-5-6-12(7-9(8)2)15-14(17)13-10(3)11(4)18-16-13/h5-7H,1-4H3,(H,15,17)
InChIKeyXMUPQWNPSWHCAL-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.16
Rot. Bonds2

About N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 19589954) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID19589954
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc(C)c2C)cc1C
InChIInChI=1S/C14H16N2O2/c1-8-5-6-12(7-9(8)2)15-14(17)13-10(3)11(4)18-16-13/h5-7H,1-4H3,(H,15,17)
InChIKeyXMUPQWNPSWHCAL-UHFFFAOYSA-N
XLogP3.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110861160
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011912
N-(3,4-dimethylphenyl)-4,5-dimethylfuran-2-carboxamide
CID 2988789
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 17026519
N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
CID 163590509
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445000
N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864454

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (CID 19589954) is N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2noc(C)c2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is XMUPQWNPSWHCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-5-6-12(7-9(8)2)15-14(17)13-10(3)11(4)18-16-13/h5-7H,1-4H3,(H,15,17).
What are the key properties of N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19589954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).