2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide

C26H31F2N3O3 — CID 170720246

IUPAC2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide
SMILESCCCc1oc(N2CCC3CCCC32)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1
InChIInChI=1S/C26H31F2N3O3/c1-2-4-22-23(30-26(34-22)31-8-7-14-5-3-6-21(14)31)25(32)29-17-12-19(27)24(20(28)13-17)33-18-10-15-9-16(15)11-18/h12-16,18,21H,2-11H2,1H3,(H,29,32)
InChIKeyUEHHKWDQLLRQAE-UHFFFAOYSA-N
MW471.55 g/mol
LogP5.71
Rot. Bonds7

About 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide

2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide (PubChem CID 170720246) has the molecular formula C26H31F2N3O3 and a molecular weight of 471.55 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide
PubChem CID170720246
Molecular FormulaC26H31F2N3O3
Molecular Weight471.55 g/mol
Exact Mass471.23
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide
SMILESCCCc1oc(N2CCC3CCCC32)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1
InChIInChI=1S/C26H31F2N3O3/c1-2-4-22-23(30-26(34-22)31-8-7-14-5-3-6-21(14)31)25(32)29-17-12-19(27)24(20(28)13-17)33-18-10-15-9-16(15)11-18/h12-16,18,21H,2-11H2,1H3,(H,29,32)
InChIKeyUEHHKWDQLLRQAE-UHFFFAOYSA-N
XLogP5.71
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide (CID 170720246) is 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide is CCCc1oc(N2CCC3CCCC32)nc1C(=O)Nc1cc(F)c(OC2CC3CC3C2)c(F)c1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is UEHHKWDQLLRQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O3/c1-2-4-22-23(30-26(34-22)31-8-7-14-5-3-6-21(14)31)25(32)29-17-12-19(27)24(20(28)13-17)33-18-10-15-9-16(15)11-18/h12-16,18,21H,2-11H2,1H3,(H,29,32).
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide?
2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).