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

C20H20N2O2S — CID 51065080

IUPACN,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)N(C)C)cc1
InChIInChI=1S/C20H20N2O2S/c1-13-5-9-15(10-6-13)18-21-17(19(23)22(3)4)20(24-18)25-16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyVVKLIUNACOVDTH-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.81
Rot. Bonds4

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

N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide (PubChem CID 51065080) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide
PubChem CID51065080
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)N(C)C)cc1
InChIInChI=1S/C20H20N2O2S/c1-13-5-9-15(10-6-13)18-21-17(19(23)22(3)4)20(24-18)25-16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyVVKLIUNACOVDTH-UHFFFAOYSA-N
XLogP4.81
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Methylsulfanyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 1204323
2-[[5-Methyl-2-[4-(methylthio)phenyl]-4-oxazolyl]methylthio]-1-(4-morpholinyl)ethanone
CID 3238837
N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 10310068
N,N-dimethyl-2-(p-tolyl)-4-tosyloxazol-5-amine
CID 1381275
N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 44415640
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 44415818
N,N-dipentyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 54770263
N-methyl-N-({5-methyl-2-[4-(methylthio)phenyl]-1,3-oxazol-4-yl}methyl)tetrahydrofuran-3-amine
CID 16188986
N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 10310283
N-[(4-Ethylphenyl)methyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-YL)benzamide
CID 16022305
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 16022459
N,N-dibutyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 54770262

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide (CID 51065080) is N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide is Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide?
The InChIKey is VVKLIUNACOVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-5-9-15(10-6-13)18-21-17(19(23)22(3)4)20(24-18)25-16-11-7-14(2)8-12-16/h5-12H,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide?
N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51065080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).