(3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane

C25H28F3N5O2 — CID 57058603

IUPAC(3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCC(C)Oc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(CCCN[C@H]2c2ccccc2)C1
InChIInChI=1S/C25H28F3N5O2/c1-16(2)35-21-10-9-19(33-23(25(26,27)28)30-31-32-33)13-20(21)18-14-24(34-15-18)11-6-12-29-22(24)17-7-4-3-5-8-17/h3-5,7-10,13,16,18,22,29H,6,11-12,14-15H2,1-2H3/t18-,22+,24-/m1/s1
InChIKeyYHBGONGCSDANTQ-RVSNTGDXSA-N
MW487.53 g/mol
LogP4.84
Rot. Bonds5

About (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane

(3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane (PubChem CID 57058603) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane
PubChem CID57058603
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name(3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCC(C)Oc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(CCCN[C@H]2c2ccccc2)C1
InChIInChI=1S/C25H28F3N5O2/c1-16(2)35-21-10-9-19(33-23(25(26,27)28)30-31-32-33)13-20(21)18-14-24(34-15-18)11-6-12-29-22(24)17-7-4-3-5-8-17/h3-5,7-10,13,16,18,22,29H,6,11-12,14-15H2,1-2H3/t18-,22+,24-/m1/s1
InChIKeyYHBGONGCSDANTQ-RVSNTGDXSA-N
XLogP4.84
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane 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 (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane (CID 57058603) is (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane is CC(C)Oc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(CCCN[C@H]2c2ccccc2)C1.
What is the InChIKey of (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is YHBGONGCSDANTQ-RVSNTGDXSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-16(2)35-21-10-9-19(33-23(25(26,27)28)30-31-32-33)13-20(21)18-14-24(34-15-18)11-6-12-29-22(24)17-7-4-3-5-8-17/h3-5,7-10,13,16,18,22,29H,6,11-12,14-15H2,1-2H3/t18-,22+,24-/m1/s1.
What are the key properties of (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane?
(3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 487.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,10S)-10-phenyl-3-[2-propan-2-yloxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 57058603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).