3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C18H19F2N3O2 — CID 95226663

IUPAC3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCC1=NO[C@H](CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1
InChIInChI=1S/C18H19F2N3O2/c1-2-12-8-13(24-21-12)9-23-6-5-17-14(10-23)18(22-25-17)11-3-4-15(19)16(20)7-11/h3-4,7,13H,2,5-6,8-10H2,1H3/t13-/m0/s1
InChIKeyVMLNXBKFHAGWSF-ZDUSSCGKSA-N
MW347.37 g/mol
LogP3.53
Rot. Bonds4

About 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 95226663) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID95226663
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCC1=NO[C@H](CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1
InChIInChI=1S/C18H19F2N3O2/c1-2-12-8-13(24-21-12)9-23-6-5-17-14(10-23)18(22-25-17)11-3-4-15(19)16(20)7-11/h3-4,7,13H,2,5-6,8-10H2,1H3/t13-/m0/s1
InChIKeyVMLNXBKFHAGWSF-ZDUSSCGKSA-N
XLogP3.53
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

3-(3,4-difluorophenyl)-5-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 95226664
3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol
CID 56752367
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylsulfanylethanone
CID 29151035
3-(3,4-difluorophenyl)-5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 30853187
[5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]furan-2-yl]methanol
CID 25296785
3-(3,4-difluorophenyl)-5-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 26320424
3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56742204
(2R)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-hydroxypropan-1-one
CID 95227255
(5S)-3-ethyl-5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)-4,5-dihydro-1,2-oxazole
CID 124844620
3-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-1,3-oxazolidin-2-one
CID 56756683
2,4-dimethyl-6-[(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
CID 56751024

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 95226663) is 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CCC1=NO[C@H](CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is VMLNXBKFHAGWSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-2-12-8-13(24-21-12)9-23-6-5-17-14(10-23)18(22-25-17)11-3-4-15(19)16(20)7-11/h3-4,7,13H,2,5-6,8-10H2,1H3/t13-/m0/s1.
What are the key properties of 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 347.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 95226663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).