N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide

C17H16N2O2S — CID 110414883

IUPACN-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1cccs1
InChIInChI=1S/C17H16N2O2S/c1-12-14(9-10-18-16(20)15-8-5-11-22-15)19-17(21-12)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeyUDORRQZPGUMODE-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide

N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 110414883) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID110414883
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1cccs1
InChIInChI=1S/C17H16N2O2S/c1-12-14(9-10-18-16(20)15-8-5-11-22-15)19-17(21-12)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeyUDORRQZPGUMODE-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

N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
2-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-phenylbenzamide
CID 166367592
4-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]furan-3-carboxamide
CID 166367638
2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166296297
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
CID 166218441
3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide
CID 166367611
5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 146152159
1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
CID 56823586
5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-2,5-dicarboxamide
CID 167750168
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-2,3-dicarboxamide
CID 167874339

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide (CID 110414883) is N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccs1.
What is the InChIKey of N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is UDORRQZPGUMODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-14(9-10-18-16(20)15-8-5-11-22-15)19-17(21-12)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide?
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-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-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 110414883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).