N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide

C12H11N5O2S — CID 19586659

IUPACN-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1nc(-c2cccs2)no1
InChIInChI=1S/C12H11N5O2S/c1-17-8(4-5-14-17)7-13-11(18)12-15-10(16-19-12)9-3-2-6-20-9/h2-6H,7H2,1H3,(H,13,18)
InChIKeyTUYGADISDVUPEX-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.46
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 19586659) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID19586659
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCn1nccc1CNC(=O)c1nc(-c2cccs2)no1
InChIInChI=1S/C12H11N5O2S/c1-17-8(4-5-14-17)7-13-11(18)12-15-10(16-19-12)9-3-2-6-20-9/h2-6H,7H2,1H3,(H,13,18)
InChIKeyTUYGADISDVUPEX-UHFFFAOYSA-N
XLogP1.46
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 29127652
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083296
N-[(5-chloro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19589384
N-[2-[(2-methoxybenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083291
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
N-[(E)-(4-bromo-1-methylpyrazol-5-yl)methylideneamino]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19587719
N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 16764750
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083307
1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 36974759
4-fluoro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 27261087
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083319
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 19586659) is N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is Cn1nccc1CNC(=O)c1nc(-c2cccs2)no1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is TUYGADISDVUPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-17-8(4-5-14-17)7-13-11(18)12-15-10(16-19-12)9-3-2-6-20-9/h2-6H,7H2,1H3,(H,13,18).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 19586659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).