3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

C18H18N2O2S — CID 46096812

IUPAC3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-13-16(17(22-20-13)15-10-6-12-23-15)18(21)19-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21)
InChIKeyZNXRKPAVNXHBSK-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.07
Rot. Bonds6

About 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46096812) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46096812
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-13-16(17(22-20-13)15-10-6-12-23-15)18(21)19-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21)
InChIKeyZNXRKPAVNXHBSK-UHFFFAOYSA-N
XLogP4.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093882
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093965
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46097006
5-(1,3-benzodioxol-5-yl)-3-methyl-N-(4-phenylbutyl)-1,2-oxazole-4-carboxamide
CID 46096819
3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 92770999
3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46097183
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
7-hydroxy-5-oxo-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734355
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097141
3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46093867
N-[3-[benzyl(methyl)amino]propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31588216

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46096812) is 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NCCCc1ccccc1.
What is the InChIKey of 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is ZNXRKPAVNXHBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-16(17(22-20-13)15-10-6-12-23-15)18(21)19-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).