2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide

C14H13N5O2S — CID 50964431

IUPAC2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCc2noc(-c3cccs3)n2)cn1
InChIInChI=1S/C14H13N5O2S/c1-2-11-15-6-9(7-16-11)13(20)17-8-12-18-14(21-19-12)10-4-3-5-22-10/h3-7H,2,8H2,1H3,(H,17,20)
InChIKeyOLEPWDLIVQWPMF-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.08
Rot. Bonds5

About 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide

2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 50964431) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
PubChem CID50964431
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCc2noc(-c3cccs3)n2)cn1
InChIInChI=1S/C14H13N5O2S/c1-2-11-15-6-9(7-16-11)13(20)17-8-12-18-14(21-19-12)10-4-3-5-22-10/h3-7H,2,8H2,1H3,(H,17,20)
InChIKeyOLEPWDLIVQWPMF-UHFFFAOYSA-N
XLogP2.08
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 50755766
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903
5-oxo-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131928804
4-methoxy-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
CID 131911637
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 74233190
5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 122133107
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 43631483
2-(2,6-dimethylanilino)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 131894083
1,3,6-trimethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131893193
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-5-sulfonamide
CID 131931459

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide (CID 50964431) is 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCc2noc(-c3cccs3)n2)cn1.
What is the InChIKey of 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is OLEPWDLIVQWPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-2-11-15-6-9(7-16-11)13(20)17-8-12-18-14(21-19-12)10-4-3-5-22-10/h3-7H,2,8H2,1H3,(H,17,20).
What are the key properties of 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide?
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 50964431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).