3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole

C15H19F3N4O2 — CID 126837673

IUPAC3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCOC1(c2noc(-c3cnn(C(C)C)c3C(F)(F)F)n2)CCCC1
InChIInChI=1S/C15H19F3N4O2/c1-9(2)22-11(15(16,17)18)10(8-19-22)12-20-13(21-24-12)14(23-3)6-4-5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyMLASSEIHGKDVCA-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.95
Rot. Bonds4

About 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole

3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole (PubChem CID 126837673) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
PubChem CID126837673
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCOC1(c2noc(-c3cnn(C(C)C)c3C(F)(F)F)n2)CCCC1
InChIInChI=1S/C15H19F3N4O2/c1-9(2)22-11(15(16,17)18)10(8-19-22)12-20-13(21-24-12)14(23-3)6-4-5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyMLASSEIHGKDVCA-UHFFFAOYSA-N
XLogP3.95
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856997
1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856998
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136773857
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771094
2-amino-6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136954546
5-chloro-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136773854
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 116742411
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
4-fluoro-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701424
5-bromo-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609673
4-chloro-3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503466

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole (CID 126837673) is 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole is COC1(c2noc(-c3cnn(C(C)C)c3C(F)(F)F)n2)CCCC1.
What is the InChIKey of 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is MLASSEIHGKDVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-9(2)22-11(15(16,17)18)10(8-19-22)12-20-13(21-24-12)14(23-3)6-4-5-7-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 344.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclopentyl)-5-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 126837673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).