5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C14H14N4O2S — CID 97454896

IUPAC5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCn1nc(-c2nc([C@H]3CCOC3)no2)cc1-c1cccs1
InChIInChI=1S/C14H14N4O2S/c1-18-11(12-3-2-6-21-12)7-10(16-18)14-15-13(17-20-14)9-4-5-19-8-9/h2-3,6-7,9H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyPTUMLKWRXNMFQW-VIFPVBQESA-N
MW302.36 g/mol
LogP2.70
Rot. Bonds3

About 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97454896) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97454896
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCn1nc(-c2nc([C@H]3CCOC3)no2)cc1-c1cccs1
InChIInChI=1S/C14H14N4O2S/c1-18-11(12-3-2-6-21-12)7-10(16-18)14-15-13(17-20-14)9-4-5-19-8-9/h2-3,6-7,9H,4-5,8H2,1H3/t9-/m0/s1
InChIKeyPTUMLKWRXNMFQW-VIFPVBQESA-N
XLogP2.70
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455192
5-(6-chloro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72905118
5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72902714
5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446011
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453309
3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 97444146
5-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72854814
3-[(3R)-oxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,2,4-oxadiazole
CID 129380265
N,N-dimethyl-1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 72892117
5-(5-methylimidazo[1,2-a]pyridin-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436454

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97454896) is 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Cn1nc(-c2nc([C@H]3CCOC3)no2)cc1-c1cccs1.
What is the InChIKey of 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is PTUMLKWRXNMFQW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-18-11(12-3-2-6-21-12)7-10(16-18)14-15-13(17-20-14)9-4-5-19-8-9/h2-3,6-7,9H,4-5,8H2,1H3/t9-/m0/s1.
What are the key properties of 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 302.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97454896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).