2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide

C24H27F2N3O3 — CID 170720270

IUPAC2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CC3CCC3C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1
InChIInChI=1S/C24H27F2N3O3/c1-2-20-21(28-24(32-20)29-10-12-3-4-13(12)11-29)23(30)27-16-8-18(25)22(19(26)9-16)31-17-6-14-5-15(14)7-17/h8-9,12-15,17H,2-7,10-11H2,1H3,(H,27,30)
InChIKeyKVKVTKSGUKYXJY-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.79
Rot. Bonds6

About 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide

2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 170720270) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID170720270
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Name2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CC3CCC3C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1
InChIInChI=1S/C24H27F2N3O3/c1-2-20-21(28-24(32-20)29-10-12-3-4-13(12)11-29)23(30)27-16-8-18(25)22(19(26)9-16)31-17-6-14-5-15(14)7-17/h8-9,12-15,17H,2-7,10-11H2,1H3,(H,27,30)
InChIKeyKVKVTKSGUKYXJY-UHFFFAOYSA-N
XLogP4.79
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 170720270) is 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1oc(N2CC3CCC3C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1.
What is the InChIKey of 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is KVKVTKSGUKYXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-2-20-21(28-24(32-20)29-10-12-3-4-13(12)11-29)23(30)27-16-8-18(25)22(19(26)9-16)31-17-6-14-5-15(14)7-17/h8-9,12-15,17H,2-7,10-11H2,1H3,(H,27,30).
What are the key properties of 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide?
2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.2.0]heptan-3-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).