3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C16H16N4O2 — CID 97438197

IUPAC3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESc1cc(Cn2cccn2)cc(-c2nc([C@@H]3CCOC3)no2)c1
InChIInChI=1S/C16H16N4O2/c1-3-12(10-20-7-2-6-17-20)9-13(4-1)16-18-15(19-22-16)14-5-8-21-11-14/h1-4,6-7,9,14H,5,8,10-11H2/t14-/m1/s1
InChIKeyLDSZWACHIJBSAM-CQSZACIVSA-N
MW296.33 g/mol
LogP2.49
Rot. Bonds4

About 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole

3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 97438197) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID97438197
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESc1cc(Cn2cccn2)cc(-c2nc([C@@H]3CCOC3)no2)c1
InChIInChI=1S/C16H16N4O2/c1-3-12(10-20-7-2-6-17-20)9-13(4-1)16-18-15(19-22-16)14-5-8-21-11-14/h1-4,6-7,9,14H,5,8,10-11H2/t14-/m1/s1
InChIKeyLDSZWACHIJBSAM-CQSZACIVSA-N
XLogP2.49
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 72892117
N,N-dimethyl-1-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 97444607
3-propyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 72937186
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97456824
3-[(3S)-oxolan-3-yl]-5-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 97437113
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833
N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline
CID 43738881

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 97438197) is 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is c1cc(Cn2cccn2)cc(-c2nc([C@@H]3CCOC3)no2)c1.
What is the InChIKey of 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is LDSZWACHIJBSAM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-12(10-20-7-2-6-17-20)9-13(4-1)16-18-15(19-22-16)14-5-8-21-11-14/h1-4,6-7,9,14H,5,8,10-11H2/t14-/m1/s1.
What are the key properties of 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97438197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).