N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide

C25H32FN3O3 — CID 170720259

IUPACN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CC(CC)(CC)C2)nc1C(=O)Nc1ccc(OC2CC3CC3C2)c(F)c1
InChIInChI=1S/C25H32FN3O3/c1-4-20-22(28-24(32-20)29-13-25(5-2,6-3)14-29)23(30)27-17-7-8-21(19(26)12-17)31-18-10-15-9-16(15)11-18/h7-8,12,15-16,18H,4-6,9-11,13-14H2,1-3H3,(H,27,30)
InChIKeyGODDUPRYHCUTJH-UHFFFAOYSA-N
MW441.55 g/mol
LogP5.43
Rot. Bonds8

About N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide

N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 170720259) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID170720259
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1oc(N2CC(CC)(CC)C2)nc1C(=O)Nc1ccc(OC2CC3CC3C2)c(F)c1
InChIInChI=1S/C25H32FN3O3/c1-4-20-22(28-24(32-20)29-13-25(5-2,6-3)14-29)23(30)27-17-7-8-21(19(26)12-17)31-18-10-15-9-16(15)11-18/h7-8,12,15-16,18H,4-6,9-11,13-14H2,1-3H3,(H,27,30)
InChIKeyGODDUPRYHCUTJH-UHFFFAOYSA-N
XLogP5.43
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide (CID 170720259) is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide is CCc1oc(N2CC(CC)(CC)C2)nc1C(=O)Nc1ccc(OC2CC3CC3C2)c(F)c1.
What is the InChIKey of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is GODDUPRYHCUTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3/c1-4-20-22(28-24(32-20)29-13-25(5-2,6-3)14-29)23(30)27-17-7-8-21(19(26)12-17)31-18-10-15-9-16(15)11-18/h7-8,12,15-16,18H,4-6,9-11,13-14H2,1-3H3,(H,27,30).
What are the key properties of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide?
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).