(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one

C19H21ClF3N5O3 — CID 171631840

IUPAC(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESCOc1nc(C(F)(F)F)c(Cl)cc1-c1nnc(N[C@H](C)C(=O)N2CCC3(CC2)CC3)o1
InChIInChI=1S/C19H21ClF3N5O3/c1-10(16(29)28-7-5-18(3-4-18)6-8-28)24-17-27-26-15(31-17)11-9-12(20)13(19(21,22)23)25-14(11)30-2/h9-10H,3-8H2,1-2H3,(H,24,27)/t10-/m1/s1
InChIKeySWEXQKVVUORBAU-SNVBAGLBSA-N
MW459.86 g/mol
LogP4.02
Rot. Bonds5

About (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171631840) has the molecular formula C19H21ClF3N5O3 and a molecular weight of 459.86 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171631840
Molecular FormulaC19H21ClF3N5O3
Molecular Weight459.86 g/mol
Exact Mass459.13
IUPAC Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESCOc1nc(C(F)(F)F)c(Cl)cc1-c1nnc(N[C@H](C)C(=O)N2CCC3(CC2)CC3)o1
InChIInChI=1S/C19H21ClF3N5O3/c1-10(16(29)28-7-5-18(3-4-18)6-8-28)24-17-27-26-15(31-17)11-9-12(20)13(19(21,22)23)25-14(11)30-2/h9-10H,3-8H2,1-2H3,(H,24,27)/t10-/m1/s1
InChIKeySWEXQKVVUORBAU-SNVBAGLBSA-N
XLogP4.02
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-methoxy-2-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632400
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[6-chloro-2-(difluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632260
3-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]-5-cyclopropyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 171631867
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632389
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171631671
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-isoquinolin-3-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 171632433
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631908
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 174252084
(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
CID 171632139
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(4-chloro-1H-indazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632540
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-quinolin-7-yl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174252957

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 171631840) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is COc1nc(C(F)(F)F)c(Cl)cc1-c1nnc(N[C@H](C)C(=O)N2CCC3(CC2)CC3)o1.
What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is SWEXQKVVUORBAU-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H21ClF3N5O3/c1-10(16(29)28-7-5-18(3-4-18)6-8-28)24-17-27-26-15(31-17)11-9-12(20)13(19(21,22)23)25-14(11)30-2/h9-10H,3-8H2,1-2H3,(H,24,27)/t10-/m1/s1.
What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 459.86 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[5-chloro-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171631840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).