5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide

C17H19F3N4O3 — CID 168909113

IUPAC5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1ccc(OC(F)(F)F)cc1-c1nnc(C(=O)NC2CCNC2)o1
InChIInChI=1S/C17H19F3N4O3/c1-2-3-10-4-5-12(27-17(18,19)20)8-13(10)15-23-24-16(26-15)14(25)22-11-6-7-21-9-11/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H,22,25)
InChIKeyDRVGCOJUTFMXJM-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.68
Rot. Bonds6

About 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide

5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 168909113) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID168909113
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1ccc(OC(F)(F)F)cc1-c1nnc(C(=O)NC2CCNC2)o1
InChIInChI=1S/C17H19F3N4O3/c1-2-3-10-4-5-12(27-17(18,19)20)8-13(10)15-23-24-16(26-15)14(25)22-11-6-7-21-9-11/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H,22,25)
InChIKeyDRVGCOJUTFMXJM-UHFFFAOYSA-N
XLogP2.68
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(1-cyanopyrrolidin-3-yl)-1,3,4-oxadiazole-2-carboxamide;(Z)-N'-methylethene-1,2-diamine
CID 168909080
5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
CID 168909150
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
5-[2-chloro-5-(trifluoromethoxy)phenyl]-N-[(3R,5S)-1-cyano-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 168909163
N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909169
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
tert-butyl (2R)-2-(triazol-1-ylmethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 175594774
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710

Frequently Asked Questions

What is the IUPAC name of 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide (CID 168909113) is 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide is CCCc1ccc(OC(F)(F)F)cc1-c1nnc(C(=O)NC2CCNC2)o1.
What is the InChIKey of 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DRVGCOJUTFMXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-2-3-10-4-5-12(27-17(18,19)20)8-13(10)15-23-24-16(26-15)14(25)22-11-6-7-21-9-11/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H,22,25).
What are the key properties of 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 168909113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).