5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C18H17N3O3S — CID 55706816

IUPAC5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-15(21-18(24-11)14-4-3-9-25-14)17(23)20-10-12-5-7-13(8-6-12)16(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPXCDYCHRODAEJZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.00
Rot. Bonds5

About 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55706816) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55706816
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-15(21-18(24-11)14-4-3-9-25-14)17(23)20-10-12-5-7-13(8-6-12)16(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPXCDYCHRODAEJZ-UHFFFAOYSA-N
XLogP3.00
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704503
N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704486
N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 172709806
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 87043723
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55892303
5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704480
4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110641311
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55755678
5-methyl-2-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 122175359
N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide
CID 9125681

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55706816) is 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is CNC(=O)c1ccc(CNC(=O)c2nc(-c3cccs3)oc2C)cc1.
What is the InChIKey of 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is PXCDYCHRODAEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-15(21-18(24-11)14-4-3-9-25-14)17(23)20-10-12-5-7-13(8-6-12)16(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55706816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).