N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C14H13N5O3S — CID 74233190

IUPACN-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCc1noc(-c2cccs2)n1)c1n[nH]c2c1COCC2
InChIInChI=1S/C14H13N5O3S/c20-13(12-8-7-21-4-3-9(8)17-18-12)15-6-11-16-14(22-19-11)10-2-1-5-23-10/h1-2,5H,3-4,6-7H2,(H,15,20)(H,17,18)
InChIKeyYFLBJNSTVAYQLA-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.52
Rot. Bonds4

About N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 74233190) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID74233190
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC NameN-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCc1noc(-c2cccs2)n1)c1n[nH]c2c1COCC2
InChIInChI=1S/C14H13N5O3S/c20-13(12-8-7-21-4-3-9(8)17-18-12)15-6-11-16-14(22-19-11)10-2-1-5-23-10/h1-2,5H,3-4,6-7H2,(H,15,20)(H,17,18)
InChIKeyYFLBJNSTVAYQLA-UHFFFAOYSA-N
XLogP1.52
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
6-chloro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 50755766
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809560
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
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 52521080
5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 122133107
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 50755689
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 131901200

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of 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) is N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is O=C(NCc1noc(-c2cccs2)n1)c1n[nH]c2c1COCC2.
What is the InChIKey of N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is YFLBJNSTVAYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c20-13(12-8-7-21-4-3-9(8)17-18-12)15-6-11-16-14(22-19-11)10-2-1-5-23-10/h1-2,5H,3-4,6-7H2,(H,15,20)(H,17,18).
What are the key properties of N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 331.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 74233190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).