4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]

C18H16F2N2O — CID 166132407

IUPAC4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]
SMILESCc1cc(C2=NC3(CCC3)Oc3ccccc32)cnc1C(F)F
InChIInChI=1S/C18H16F2N2O/c1-11-9-12(10-21-15(11)17(19)20)16-13-5-2-3-6-14(13)23-18(22-16)7-4-8-18/h2-3,5-6,9-10,17H,4,7-8H2,1H3
InChIKeyYJPMUNSXBKYDAK-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.44
Rot. Bonds2

About 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]

4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane] (PubChem CID 166132407) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane].

Molecular Properties

Compound Name4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]
PubChem CID166132407
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]
SMILESCc1cc(C2=NC3(CCC3)Oc3ccccc32)cnc1C(F)F
InChIInChI=1S/C18H16F2N2O/c1-11-9-12(10-21-15(11)17(19)20)16-13-5-2-3-6-14(13)23-18(22-16)7-4-8-18/h2-3,5-6,9-10,17H,4,7-8H2,1H3
InChIKeyYJPMUNSXBKYDAK-UHFFFAOYSA-N
XLogP4.44
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane] with MolForge

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

Launch Full Analysis

Related Compounds

4-quinolin-3-ylspiro[1,3-benzoxazine-2,1'-cyclobutane]
CID 68993426
4-(5,6-dimethyl-3-pyridinyl)spiro[1,3-benzoxazine-2,3'-oxetane]
CID 171522755
1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4-fluoro-3,3,4-trimethylisoquinoline
CID 170389002
1-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-4,4-difluoro-3,3-dimethylisoquinoline
CID 135240101
5-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-2,3-dimethyl-2,3-dihydro-1,4-benzoxazepine
CID 171619613
(2S)-9-chloro-5-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-2-methylspiro[2H-1,4-benzoxazepine-3,1'-cyclopropane]
CID 178182289
4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine
CID 171619551
CID 171522843
CID 171522843
(3S)-5-[6-(difluoromethyl)-5-ethynyl-3-pyridinyl]-2,2,3-trimethyl-3H-1,4-benzoxazepine
CID 171619585
2-tert-butyl-4-(5,6-dimethyl-3-pyridinyl)-2,8-dimethyl-1,3-benzoxazine
CID 171522807
2-ethoxy-2,4-dimethyl-1,3-benzoxazine
CID 121012838
5-(2-methylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977237

Frequently Asked Questions

What is the IUPAC name of 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]?
The IUPAC name of 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane] (CID 166132407) is 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane].
What is the SMILES notation for 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]?
The canonical SMILES for 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane] is Cc1cc(C2=NC3(CCC3)Oc3ccccc32)cnc1C(F)F.
What is the InChIKey of 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]?
The InChIKey is YJPMUNSXBKYDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-11-9-12(10-21-15(11)17(19)20)16-13-5-2-3-6-14(13)23-18(22-16)7-4-8-18/h2-3,5-6,9-10,17H,4,7-8H2,1H3.
What are the key properties of 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane]?
4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane] has a molecular weight of 314.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]spiro[1,3-benzoxazine-2,1'-cyclobutane] is sourced from PubChem (CID 166132407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).