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

C19H19F2N5O — CID 56739237

IUPAC5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1
InChIInChI=1S/C19H19F2N5O/c1-2-22-19-23-8-12(9-24-19)10-26-6-5-17-14(11-26)18(25-27-17)13-3-4-15(20)16(21)7-13/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,22,23,24)
InChIKeyWMPZPIBYKPBBJT-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.40
Rot. Bonds5

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

5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine (PubChem CID 56739237) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine
PubChem CID56739237
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1
InChIInChI=1S/C19H19F2N5O/c1-2-22-19-23-8-12(9-24-19)10-26-6-5-17-14(11-26)18(25-27-17)13-3-4-15(20)16(21)7-13/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,22,23,24)
InChIKeyWMPZPIBYKPBBJT-UHFFFAOYSA-N
XLogP3.40
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 90253316
(4~{s},6~{s})-4-[2,4-Bis(Fluoranyl)-5-Pyrimidin-5-Yl-Phenyl]-6-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-4-Methyl-5,6-Dihydro-1,3-Thiazin-2-Amine
CID 90253366
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
2-{[3-(4-Fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino}butan-1-ol
CID 20924767
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
5-Amino-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole
CID 57467725
2-(2-fluorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197758
N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67198791
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-ethyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677902

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine (CID 56739237) is 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine is CCNc1ncc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1.
What is the InChIKey of 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine?
The InChIKey is WMPZPIBYKPBBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-2-22-19-23-8-12(9-24-19)10-26-6-5-17-14(11-26)18(25-27-17)13-3-4-15(20)16(21)7-13/h3-4,7-9H,2,5-6,10-11H2,1H3,(H,22,23,24).
What are the key properties of 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine?
5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine has a molecular weight of 371.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 56739237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).