N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C17H16N2O2S — CID 3232228

IUPACN-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2ncoc2-c2cccs2)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)8-9-18-17(20)15-16(21-11-19-15)14-3-2-10-22-14/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyABWSCDJPUGWTGX-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3232228) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3232228
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2ncoc2-c2cccs2)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)8-9-18-17(20)15-16(21-11-19-15)14-3-2-10-22-14/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyABWSCDJPUGWTGX-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 9551329
CID 9551329
CID 10310068
CID 10310068
CID 5308329
CID 5308329
CID 5308873
CID 5308873
CID 44415640
CID 44415640
CID 44415818
CID 44415818
CID 10310283
CID 10310283
CID 3232247
CID 3232247
CID 3232265
CID 3232265
CID 9550146
CID 9550146
CID 16193690
CID 16193690
CID 53382908
CID 53382908

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 3232228) is N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1ccc(CCNC(=O)c2ncoc2-c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ABWSCDJPUGWTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)8-9-18-17(20)15-16(21-11-19-15)14-3-2-10-22-14/h2-7,10-11H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).