4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide

C19H13ClF3N3O4 — CID 162597130

IUPAC4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide
SMILESO=C(NC1(c2nnc(-c3ccc(OC(F)(F)F)cc3)o2)C[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClF3N3O4/c20-12-5-1-10(2-6-12)15(28)24-18(9-14(18)27)17-26-25-16(29-17)11-3-7-13(8-4-11)30-19(21,22)23/h1-8,14,27H,9H2,(H,24,28)/t14-,18?/m1/s1
InChIKeyYQZUNSZSBXAKCD-IKJXHCRLSA-N
MW439.78 g/mol
LogP3.68
Rot. Bonds5

About 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide

4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide (PubChem CID 162597130) has the molecular formula C19H13ClF3N3O4 and a molecular weight of 439.78 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide
PubChem CID162597130
Molecular FormulaC19H13ClF3N3O4
Molecular Weight439.78 g/mol
Exact Mass439.05
IUPAC Name4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide
SMILESO=C(NC1(c2nnc(-c3ccc(OC(F)(F)F)cc3)o2)C[C@H]1O)c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClF3N3O4/c20-12-5-1-10(2-6-12)15(28)24-18(9-14(18)27)17-26-25-16(29-17)11-3-7-13(8-4-11)30-19(21,22)23/h1-8,14,27H,9H2,(H,24,28)/t14-,18?/m1/s1
InChIKeyYQZUNSZSBXAKCD-IKJXHCRLSA-N
XLogP3.68
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.78
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
(E)-3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 116629097
4-chloro-N-[4-[2-methyl-5,7-dioxo-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptan-4-yl]-2-pyridinyl]benzamide
CID 152593823
2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2781881
4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide
CID 175704864
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
CID 2741847
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
4-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 134205298
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 167647208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide (CID 162597130) is 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide is O=C(NC1(c2nnc(-c3ccc(OC(F)(F)F)cc3)o2)C[C@H]1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide?
The InChIKey is YQZUNSZSBXAKCD-IKJXHCRLSA-N. The full InChI is InChI=1S/C19H13ClF3N3O4/c20-12-5-1-10(2-6-12)15(28)24-18(9-14(18)27)17-26-25-16(29-17)11-3-7-13(8-4-11)30-19(21,22)23/h1-8,14,27H,9H2,(H,24,28)/t14-,18?/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide?
4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide has a molecular weight of 439.78 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 162597130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).