5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

C18H19F3N4O3 — CID 162363637

IUPAC5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC3CC3)o2)CN1
InChIInChI=1S/C18H19F3N4O3/c1-9-6-11(8-22-9)23-15(26)17-25-24-16(28-17)13-7-10(18(19,20)21)2-5-14(13)27-12-3-4-12/h2,5,7,9,11-12,22H,3-4,6,8H2,1H3,(H,23,26)/t9-,11-/m1/s1
InChIKeyDNKVYZZLNNMSDX-MWLCHTKSSA-N
MW396.37 g/mol
LogP2.78
Rot. Bonds5

About 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 162363637) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID162363637
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC3CC3)o2)CN1
InChIInChI=1S/C18H19F3N4O3/c1-9-6-11(8-22-9)23-15(26)17-25-24-16(28-17)13-7-10(18(19,20)21)2-5-14(13)27-12-3-4-12/h2,5,7,9,11-12,22H,3-4,6,8H2,1H3,(H,23,26)/t9-,11-/m1/s1
InChIKeyDNKVYZZLNNMSDX-MWLCHTKSSA-N
XLogP2.78
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-{4-[4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]piperidin-1-yl}-3-methyl-1-oxobutan-2-amine
CID 67531041
N-[(1S)-5-amino-1-[5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
CID 138601510
2-[(2S)-pyrrolidin-2-yl]-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 138691254
N-[1-cyano-5-(methoxymethyl)pyrrolidin-3-yl]-5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 162363592
(2S,4R)-4-[[[5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-hydroxymethyl]amino]-2-(methoxymethyl)pyrrolidine-1-carbonitrile
CID 162363595
tert-butyl (2S,4R)-2-(methoxymethyl)-4-[[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 162363600
5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 162363635
5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-(1-iminopyrrolidin-1-ium-3-yl)-1,3,4-oxadiazole-2-carboxamide
CID 162363636
N-(1-cyanopyrrolidin-3-yl)-5-(2-cyclopropyloxyphenyl)-1,3,4-oxadiazole-2-carboxamide;methoxymethane;1,1,1-trifluoroethane
CID 162363640
N-[(3R,5R)-1-cyano-5-(methoxymethyl)pyrrolidin-3-yl]-5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 162363650
tert-butyl (2R,4R)-4-[[5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]-2-methylpyrrolidine-1-carboxylate
CID 162363658
N-(1-cyano-5-methylpyrrolidin-3-yl)-5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 162363659

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (CID 162363637) is 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is C[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC3CC3)o2)CN1.
What is the InChIKey of 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DNKVYZZLNNMSDX-MWLCHTKSSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-9-6-11(8-22-9)23-15(26)17-25-24-16(28-17)13-7-10(18(19,20)21)2-5-14(13)27-12-3-4-12/h2,5,7,9,11-12,22H,3-4,6,8H2,1H3,(H,23,26)/t9-,11-/m1/s1.
What are the key properties of 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5R)-5-methylpyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 162363637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).