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

C21H24F2N4O — CID 26320424

IUPAC3-(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
SMILESCc1nn(C(C)C)c(C)c1CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C21H24F2N4O/c1-12(2)27-14(4)16(13(3)24-27)10-26-8-7-20-17(11-26)21(25-28-20)15-5-6-18(22)19(23)9-15/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyWRBVYIKZNGLSIP-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.57
Rot. Bonds4

About 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

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 (PubChem CID 26320424) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID26320424
Molecular FormulaC21H24F2N4O
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name3-(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
SMILESCc1nn(C(C)C)c(C)c1CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C21H24F2N4O/c1-12(2)27-14(4)16(13(3)24-27)10-26-8-7-20-17(11-26)21(25-28-20)15-5-6-18(22)19(23)9-15/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyWRBVYIKZNGLSIP-UHFFFAOYSA-N
XLogP4.57
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

[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-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 30853187
3-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-ol
CID 56752367
3-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690
1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylsulfanylethanone
CID 29151035
(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
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
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-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56742204
(2S)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazol-1-ylpropan-1-one
CID 95217799
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 56750334
[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 42364581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C(C)C)c(C)c1CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 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?
The InChIKey is WRBVYIKZNGLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O/c1-12(2)27-14(4)16(13(3)24-27)10-26-8-7-20-17(11-26)21(25-28-20)15-5-6-18(22)19(23)9-15/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 386.45 g/mol, XLogP of 4.57, 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-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 26320424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).