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

C22H24N2O2 — CID 56500650

IUPACN-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C)c(N(C(=O)c2nc(-c3ccccc3)oc2C)C(C)C)c1
InChIInChI=1S/C22H24N2O2/c1-14(2)24(19-13-15(3)11-12-16(19)4)22(25)20-17(5)26-21(23-20)18-9-7-6-8-10-18/h6-14H,1-5H3
InChIKeyZVMITYZNMBXHKI-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.32
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 56500650) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID56500650
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C)c(N(C(=O)c2nc(-c3ccccc3)oc2C)C(C)C)c1
InChIInChI=1S/C22H24N2O2/c1-14(2)24(19-13-15(3)11-12-16(19)4)22(25)20-17(5)26-21(23-20)18-9-7-6-8-10-18/h6-14H,1-5H3
InChIKeyZVMITYZNMBXHKI-UHFFFAOYSA-N
XLogP5.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoic acid
CID 119209043
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726837
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 47023722
N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 38622620
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
(2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 30724380
N-ethyl-5-methyl-N-naphthalen-1-yl-2-phenyl-1,3-oxazole-4-carboxamide
CID 55614801
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 24552817
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950136
[2-(3-methylbutylamino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2665390

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide (CID 56500650) is N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide is Cc1ccc(C)c(N(C(=O)c2nc(-c3ccccc3)oc2C)C(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ZVMITYZNMBXHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14(2)24(19-13-15(3)11-12-16(19)4)22(25)20-17(5)26-21(23-20)18-9-7-6-8-10-18/h6-14H,1-5H3.
What are the key properties of N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide?
N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-methyl-2-phenyl-N-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56500650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).