ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide

C22H33F3N6O3 — CID 168909112

IUPACethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC.CCCc1ccc(OC(F)(F)F)cc1-c1nnc(C(=O)NC2CCNC2)o1.CN/C=C\N
InChIInChI=1S/C17H19F3N4O3.C3H8N2.C2H6/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;1-5-3-2-4;1-2/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H,22,25);2-3,5H,4H2,1H3;1-2H3/b;3-2-;
InChIKeyFZRJLPLPIGQAAP-PMOSZIESSA-N
MW486.54 g/mol
LogP3.34
Rot. Bonds7

About ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide

ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 168909112) has the molecular formula C22H33F3N6O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Nameethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID168909112
Molecular FormulaC22H33F3N6O3
Molecular Weight486.54 g/mol
Exact Mass486.26
IUPAC Nameethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC.CCCc1ccc(OC(F)(F)F)cc1-c1nnc(C(=O)NC2CCNC2)o1.CN/C=C\N
InChIInChI=1S/C17H19F3N4O3.C3H8N2.C2H6/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;1-5-3-2-4;1-2/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H,22,25);2-3,5H,4H2,1H3;1-2H3/b;3-2-;
InChIKeyFZRJLPLPIGQAAP-PMOSZIESSA-N
XLogP3.34
TPSA127.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide with MolForge

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Related Compounds

N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]acetamide;hydrochloride
CID 138586559
N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 138586560
N-[2-[4-(aminomethyl)phenyl]-1-[5-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]acetamide;hydrochloride
CID 138586636
N-[2-[4-(aminomethyl)phenyl]-1-[5-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 138586637
N-[(1S)-5-amino-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]pentyl]acetamide
CID 138601512
N-[2-(3-aminopropyl)-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]acetamide
CID 142574931
N-[2-[4-(aminomethyl)phenyl]-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]-N-methylacetamide
CID 146602924
N-[2-[3-(aminomethyl)phenyl]-1-[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
CID 154988206
N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 162363664
5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 168909043
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-[2-chloro-5-(trifluoromethoxy)phenyl]-N-(1-cyanopyrrolidin-3-yl)-1,3,4-oxadiazole-2-carboxamide
CID 168909081

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide (CID 168909112) is ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide is CC.CCCc1ccc(OC(F)(F)F)cc1-c1nnc(C(=O)NC2CCNC2)o1.CN/C=C\N.
What is the InChIKey of ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FZRJLPLPIGQAAP-PMOSZIESSA-N. The full InChI is InChI=1S/C17H19F3N4O3.C3H8N2.C2H6/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;1-5-3-2-4;1-2/h4-5,8,11,21H,2-3,6-7,9H2,1H3,(H,22,25);2-3,5H,4H2,1H3;1-2H3/b;3-2-;.
What are the key properties of ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide?
ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N'-methylethene-1,2-diamine;5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 168909112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).