(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

C18H24N6O3 — CID 171632400

IUPAC(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
SMILESCOc1nc(C)ncc1-c1nnc(N[C@@H](C)C(=O)N2CCC3(CC2)CC3)o1
InChIInChI=1S/C18H24N6O3/c1-11(16(25)24-8-6-18(4-5-18)7-9-24)20-17-23-22-15(27-17)13-10-19-12(2)21-14(13)26-3/h10-11H,4-9H2,1-3H3,(H,20,23)/t11-/m0/s1
InChIKeyBDHVMTIQKCBPSV-NSHDSACASA-N
MW372.43 g/mol
LogP2.05
Rot. Bonds5

About (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

(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 (PubChem CID 171632400) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171632400
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name(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
SMILESCOc1nc(C)ncc1-c1nnc(N[C@@H](C)C(=O)N2CCC3(CC2)CC3)o1
InChIInChI=1S/C18H24N6O3/c1-11(16(25)24-8-6-18(4-5-18)7-9-24)20-17-23-22-15(27-17)13-10-19-12(2)21-14(13)26-3/h10-11H,4-9H2,1-3H3,(H,20,23)/t11-/m0/s1
InChIKeyBDHVMTIQKCBPSV-NSHDSACASA-N
XLogP2.05
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199
(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
(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
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
(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
(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
(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
(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
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-cyclopropylphenyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632500
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632426
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1nc(C)ncc1-c1nnc(N[C@@H](C)C(=O)N2CCC3(CC2)CC3)o1.
What is the InChIKey of (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?
The InChIKey is BDHVMTIQKCBPSV-NSHDSACASA-N. The full InChI is InChI=1S/C18H24N6O3/c1-11(16(25)24-8-6-18(4-5-18)7-9-24)20-17-23-22-15(27-17)13-10-19-12(2)21-14(13)26-3/h10-11H,4-9H2,1-3H3,(H,20,23)/t11-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 372.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171632400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).