3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

C30H32F3N3O — CID 175830115

IUPAC3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccnc2ccc(N3CCC4(C=C(c5c(C6CCCCC6)noc5C5CC5)C4)CC3)cc12
InChIInChI=1S/C30H32F3N3O/c31-30(32,33)24-10-13-34-25-9-8-22(16-23(24)25)36-14-11-29(12-15-36)17-21(18-29)26-27(19-4-2-1-3-5-19)35-37-28(26)20-6-7-20/h8-10,13,16-17,19-20H,1-7,11-12,14-15,18H2
InChIKeyGBTDRFOQHJWSMK-UHFFFAOYSA-N
MW507.60 g/mol
LogP8.24
Rot. Bonds4

About 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (PubChem CID 175830115) has the molecular formula C30H32F3N3O and a molecular weight of 507.60 g/mol. Its IUPAC name is 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
PubChem CID175830115
Molecular FormulaC30H32F3N3O
Molecular Weight507.60 g/mol
Exact Mass507.25
IUPAC Name3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESFC(F)(F)c1ccnc2ccc(N3CCC4(C=C(c5c(C6CCCCC6)noc5C5CC5)C4)CC3)cc12
InChIInChI=1S/C30H32F3N3O/c31-30(32,33)24-10-13-34-25-9-8-22(16-23(24)25)36-14-11-29(12-15-36)17-21(18-29)26-27(19-4-2-1-3-5-19)35-37-28(26)20-6-7-20/h8-10,13,16-17,19-20H,1-7,11-12,14-15,18H2
InChIKeyGBTDRFOQHJWSMK-UHFFFAOYSA-N
XLogP8.24
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The IUPAC name of 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (CID 175830115) is 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The canonical SMILES for 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is FC(F)(F)c1ccnc2ccc(N3CCC4(C=C(c5c(C6CCCCC6)noc5C5CC5)C4)CC3)cc12.
What is the InChIKey of 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The InChIKey is GBTDRFOQHJWSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O/c31-30(32,33)24-10-13-34-25-9-8-22(16-23(24)25)36-14-11-29(12-15-36)17-21(18-29)26-27(19-4-2-1-3-5-19)35-37-28(26)20-6-7-20/h8-10,13,16-17,19-20H,1-7,11-12,14-15,18H2.
What are the key properties of 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole has a molecular weight of 507.60 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-cyclopropyl-4-[7-[4-(trifluoromethyl)quinolin-6-yl]-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is sourced from PubChem (CID 175830115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).