5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole

C17H19N5O — CID 95306781

IUPAC5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cnn(C2CN([C@H](C)c3nc(-c4ccccc4)no3)C2)c1
InChIInChI=1S/C17H19N5O/c1-12-8-18-22(9-12)15-10-21(11-15)13(2)17-19-16(20-23-17)14-6-4-3-5-7-14/h3-9,13,15H,10-11H2,1-2H3/t13-/m1/s1
InChIKeySMNXDMIAKDMPMD-CYBMUJFWSA-N
MW309.37 g/mol
LogP2.86
Rot. Bonds4

About 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole

5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 95306781) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID95306781
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cnn(C2CN([C@H](C)c3nc(-c4ccccc4)no3)C2)c1
InChIInChI=1S/C17H19N5O/c1-12-8-18-22(9-12)15-10-21(11-15)13(2)17-19-16(20-23-17)14-6-4-3-5-7-14/h3-9,13,15H,10-11H2,1-2H3/t13-/m1/s1
InChIKeySMNXDMIAKDMPMD-CYBMUJFWSA-N
XLogP2.86
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 56781222
2,6-dimethyl-4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47012753
[(3R,4R)-4-phenyl-1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120759864
(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120761263
1-[1-[(1S)-1-(2,6-difluorophenyl)ethyl]azetidin-3-yl]-4-methylpyrazole
CID 95297049
5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 94513017
(4-methylphenyl)-[1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 87034801
3-phenyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 40897910
5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 75831255
1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907313
3-phenyl-5-[1-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55703237
5-[(1S)-1-[4-(3-methylbutyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 52513118

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole (CID 95306781) is 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole is Cc1cnn(C2CN([C@H](C)c3nc(-c4ccccc4)no3)C2)c1.
What is the InChIKey of 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is SMNXDMIAKDMPMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-8-18-22(9-12)15-10-21(11-15)13(2)17-19-16(20-23-17)14-6-4-3-5-7-14/h3-9,13,15H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 95306781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).