5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C18H19FN4OS — CID 42458038

IUPAC5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CN2CCc3onc(-c4ccccc4F)c3C2)s1
InChIInChI=1S/C18H19FN4OS/c1-22(2)18-20-9-12(25-18)10-23-8-7-16-14(11-23)17(21-24-16)13-5-3-4-6-15(13)19/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyQJBWRBQFMHOHFP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.56
Rot. Bonds4

About 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 42458038) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID42458038
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CN2CCc3onc(-c4ccccc4F)c3C2)s1
InChIInChI=1S/C18H19FN4OS/c1-22(2)18-20-9-12(25-18)10-23-8-7-16-14(11-23)17(21-24-16)13-5-3-4-6-15(13)19/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyQJBWRBQFMHOHFP-UHFFFAOYSA-N
XLogP3.56
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2091187
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 89626949
4-(5-fluoro-1,2-benzoxazol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 89626969
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 56677054
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 51002829
5-[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(3-fluorophenyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25459543
3-(2-fluorophenyl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 31015966
3-Methyl-5-[4-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
CID 95799410
3-(3,4-Difluorophenyl)-5-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25366776
3-(2-Fluorophenyl)-5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25292951
3-(3,4-difluorophenyl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25371523
3-(3-Fluorophenyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 42196706

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 42458038) is 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1ncc(CN2CCc3onc(-c4ccccc4F)c3C2)s1.
What is the InChIKey of 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is QJBWRBQFMHOHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-22(2)18-20-9-12(25-18)10-23-8-7-16-14(11-23)17(21-24-16)13-5-3-4-6-15(13)19/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 358.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42458038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).