2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide

C24H25F2N3O3 — CID 174163170

IUPAC2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CCC3(CC3)C2)nc1C(=O)Nc1cc(F)c(OC2CC3C4C2C34)c(F)c1
InChIInChI=1S/C24H25F2N3O3/c1-2-15-20(28-23(32-15)29-6-5-24(10-29)3-4-24)22(30)27-11-7-13(25)21(14(26)8-11)31-16-9-12-17-18(12)19(16)17/h7-8,12,16-19H,2-6,9-10H2,1H3,(H,27,30)
InChIKeyPTNNQUSLJJSRNN-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.40
Rot. Bonds6

About 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide

2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 174163170) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID174163170
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CCC3(CC3)C2)nc1C(=O)Nc1cc(F)c(OC2CC3C4C2C34)c(F)c1
InChIInChI=1S/C24H25F2N3O3/c1-2-15-20(28-23(32-15)29-6-5-24(10-29)3-4-24)22(30)27-11-7-13(25)21(14(26)8-11)31-16-9-12-17-18(12)19(16)17/h7-8,12,16-19H,2-6,9-10H2,1H3,(H,27,30)
InChIKeyPTNNQUSLJJSRNN-UHFFFAOYSA-N
XLogP4.40
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 174163170) is 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1oc(N2CCC3(CC3)C2)nc1C(=O)Nc1cc(F)c(OC2CC3C4C2C34)c(F)c1.
What is the InChIKey of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is PTNNQUSLJJSRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-2-15-20(28-23(32-15)29-6-5-24(10-29)3-4-24)22(30)27-11-7-13(25)21(14(26)8-11)31-16-9-12-17-18(12)19(16)17/h7-8,12,16-19H,2-6,9-10H2,1H3,(H,27,30).
What are the key properties of 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide?
2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.4]heptan-5-yl)-N-[3,5-difluoro-4-(3-tricyclo[3.1.0.02,6]hexanyloxy)phenyl]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174163170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).