3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one

C19H19F2N5O2 — CID 169416317

IUPAC3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
SMILESCn1ccc(-c2c(-c3ccc(F)c(F)c3)ncn2CCN2CCCOC2=O)n1
InChIInChI=1S/C19H19F2N5O2/c1-24-7-5-16(23-24)18-17(13-3-4-14(20)15(21)11-13)22-12-26(18)9-8-25-6-2-10-28-19(25)27/h3-5,7,11-12H,2,6,8-10H2,1H3
InChIKeyHYWASARVCWLDGT-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.07
Rot. Bonds5

About 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one

3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one (PubChem CID 169416317) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
PubChem CID169416317
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one
SMILESCn1ccc(-c2c(-c3ccc(F)c(F)c3)ncn2CCN2CCCOC2=O)n1
InChIInChI=1S/C19H19F2N5O2/c1-24-7-5-16(23-24)18-17(13-3-4-14(20)15(21)11-13)22-12-26(18)9-8-25-6-2-10-28-19(25)27/h3-5,7,11-12H,2,6,8-10H2,1H3
InChIKeyHYWASARVCWLDGT-UHFFFAOYSA-N
XLogP3.07
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one (CID 169416317) is 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one is Cn1ccc(-c2c(-c3ccc(F)c(F)c3)ncn2CCN2CCCOC2=O)n1.
What is the InChIKey of 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The InChIKey is HYWASARVCWLDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-24-7-5-16(23-24)18-17(13-3-4-14(20)15(21)11-13)22-12-26(18)9-8-25-6-2-10-28-19(25)27/h3-5,7,11-12H,2,6,8-10H2,1H3.
What are the key properties of 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one has a molecular weight of 387.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3,4-difluorophenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 169416317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).