N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide

C24H30Cl2N4O2 — CID 156704134

IUPACN-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC23CC3)CC1)c1ncco1
InChIInChI=1S/C24H30Cl2N4O2/c25-19-2-1-3-20(21(19)26)29-13-14-30(24(16-29)9-10-24)12-8-17-4-6-18(7-5-17)28-22(31)23-27-11-15-32-23/h1-3,11,15,17-18H,4-10,12-14,16H2,(H,28,31)
InChIKeyFPVZHWBNNNBPBX-UHFFFAOYSA-N
MW477.44 g/mol
LogP5.01
Rot. Bonds6

About N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide

N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide (PubChem CID 156704134) has the molecular formula C24H30Cl2N4O2 and a molecular weight of 477.44 g/mol. Its IUPAC name is N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
PubChem CID156704134
Molecular FormulaC24H30Cl2N4O2
Molecular Weight477.44 g/mol
Exact Mass476.17
IUPAC NameN-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC23CC3)CC1)c1ncco1
InChIInChI=1S/C24H30Cl2N4O2/c25-19-2-1-3-20(21(19)26)29-13-14-30(24(16-29)9-10-24)12-8-17-4-6-18(7-5-17)28-22(31)23-27-11-15-32-23/h1-3,11,15,17-18H,4-10,12-14,16H2,(H,28,31)
InChIKeyFPVZHWBNNNBPBX-UHFFFAOYSA-N
XLogP5.01
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide (CID 156704134) is N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide is O=C(NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC23CC3)CC1)c1ncco1.
What is the InChIKey of N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide?
The InChIKey is FPVZHWBNNNBPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O2/c25-19-2-1-3-20(21(19)26)29-13-14-30(24(16-29)9-10-24)12-8-17-4-6-18(7-5-17)28-22(31)23-27-11-15-32-23/h1-3,11,15,17-18H,4-10,12-14,16H2,(H,28,31).
What are the key properties of N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide?
N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide has a molecular weight of 477.44 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[7-(2,3-dichlorophenyl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]cyclohexyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 156704134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).