[2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

C18H23F3N2O2 — CID 126801222

IUPAC[2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESCc1nc(CC2CC2)oc1C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C18H23F3N2O2/c1-11-15(25-14(22-11)9-12-3-4-12)16(24)23-8-5-13(18(19,20)21)17(10-23)6-2-7-17/h12-13H,2-10H2,1H3
InChIKeyMLCZRKCQJHVUHI-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.13
Rot. Bonds3

About [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

[2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (PubChem CID 126801222) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
PubChem CID126801222
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name[2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESCc1nc(CC2CC2)oc1C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C18H23F3N2O2/c1-11-15(25-14(22-11)9-12-3-4-12)16(24)23-8-5-13(18(19,20)21)17(10-23)6-2-7-17/h12-13H,2-10H2,1H3
InChIKeyMLCZRKCQJHVUHI-UHFFFAOYSA-N
XLogP4.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The IUPAC name of [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (CID 126801222) is [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The canonical SMILES for [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is Cc1nc(CC2CC2)oc1C(=O)N1CCC(C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The InChIKey is MLCZRKCQJHVUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-11-15(25-14(22-11)9-12-3-4-12)16(24)23-8-5-13(18(19,20)21)17(10-23)6-2-7-17/h12-13H,2-10H2,1H3.
What are the key properties of [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
[2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone has a molecular weight of 356.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-4-methyl-1,3-oxazol-5-yl]-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is sourced from PubChem (CID 126801222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).