3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole

C23H21FN4O — CID 66795129

IUPAC3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2cnn(C3CCCCC3)c2-c2ccccc2)no1
InChIInChI=1S/C23H21FN4O/c24-20-14-8-7-13-18(20)23-26-22(27-29-23)19-15-25-28(17-11-5-2-6-12-17)21(19)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17H,2,5-6,11-12H2
InChIKeyFWXCXBCNIWEOJY-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.91
Rot. Bonds4

About 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole

3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 66795129) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID66795129
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2cnn(C3CCCCC3)c2-c2ccccc2)no1
InChIInChI=1S/C23H21FN4O/c24-20-14-8-7-13-18(20)23-26-22(27-29-23)19-15-25-28(17-11-5-2-6-12-17)21(19)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17H,2,5-6,11-12H2
InChIKeyFWXCXBCNIWEOJY-UHFFFAOYSA-N
XLogP5.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 35521938
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 51901909
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
CID 91226224
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
(E)-3-[3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]prop-2-enoic acid
CID 66803535
[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 74810527
5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 6459796
2-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62661065
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068
3-[[3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methoxy]propanoic acid
CID 66803496
2-[1-cyclohexyl-4-[3-[4-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-5-yl]ethyl-methyloxidanium
CID 147854485

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (CID 66795129) is 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is Fc1ccccc1-c1nc(-c2cnn(C3CCCCC3)c2-c2ccccc2)no1.
What is the InChIKey of 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is FWXCXBCNIWEOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-20-14-8-7-13-18(20)23-26-22(27-29-23)19-15-25-28(17-11-5-2-6-12-17)21(19)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17H,2,5-6,11-12H2.
What are the key properties of 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 388.45 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-5-phenylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 66795129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).