9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C21H23F3N4O5 — CID 71679344

IUPAC9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCO3)no1
InChIInChI=1S/C21H23F3N4O5/c1-14-12-17(26-33-14)18(29)27-8-6-20(7-9-27)13-28(10-11-31-20)19(30)25-15-2-4-16(5-3-15)32-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)
InChIKeyXZXHOWLLQMKXJY-UHFFFAOYSA-N
MW468.43 g/mol
LogP3.42
Rot. Bonds3

About 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 71679344) has the molecular formula C21H23F3N4O5 and a molecular weight of 468.43 g/mol. Its IUPAC name is 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID71679344
Molecular FormulaC21H23F3N4O5
Molecular Weight468.43 g/mol
Exact Mass468.16
IUPAC Name9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCO3)no1
InChIInChI=1S/C21H23F3N4O5/c1-14-12-17(26-33-14)18(29)27-8-6-20(7-9-27)13-28(10-11-31-20)19(30)25-15-2-4-16(5-3-15)32-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)
InChIKeyXZXHOWLLQMKXJY-UHFFFAOYSA-N
XLogP3.42
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 71679344) is 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is Cc1cc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCO3)no1.
What is the InChIKey of 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is XZXHOWLLQMKXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O5/c1-14-12-17(26-33-14)18(29)27-8-6-20(7-9-27)13-28(10-11-31-20)19(30)25-15-2-4-16(5-3-15)32-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30).
What are the key properties of 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 468.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 71679344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).