6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one

C25H28N4O2 — CID 50905737

IUPAC6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one
SMILESC=C(C)CC1(c2ccccc2)CCN(C(C)(C)c2cn(-c3ccccc3)nn2)C(=O)O1
InChIInChI=1S/C25H28N4O2/c1-19(2)17-25(20-11-7-5-8-12-20)15-16-28(23(30)31-25)24(3,4)22-18-29(27-26-22)21-13-9-6-10-14-21/h5-14,18H,1,15-17H2,2-4H3
InChIKeyNGZAMCWHHYZIFK-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.21
Rot. Bonds6

About 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one

6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one (PubChem CID 50905737) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one
PubChem CID50905737
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one
SMILESC=C(C)CC1(c2ccccc2)CCN(C(C)(C)c2cn(-c3ccccc3)nn2)C(=O)O1
InChIInChI=1S/C25H28N4O2/c1-19(2)17-25(20-11-7-5-8-12-20)15-16-28(23(30)31-25)24(3,4)22-18-29(27-26-22)21-13-9-6-10-14-21/h5-14,18H,1,15-17H2,2-4H3
InChIKeyNGZAMCWHHYZIFK-UHFFFAOYSA-N
XLogP5.21
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-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

Related Compounds

3-[(1-Benzyltriazol-4-yl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 155525892
6-(2,2-Dimethylpropyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one
CID 68169286
(+/-)-t-Butyl trans-3-benzyloxy-4-(1-phenethyl-1h-1,2,3-triazol-4-yl)piperidine-1-carboxylate
CID 67987378
(+/-)-t-Butyl trans-3-(naphthalen-2-ylmethoxy)-4-(1-phenyl-1h-1,2,3-triazol-4-yl)piperidine-1-carboxylate
CID 129838705
Tert-butyl 3-(3-methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
CID 18942149
(R)-6-allyl-6-(4-fluorophenyl)-3-((S)-1-(4-(3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)ethyl)-1,3-oxazinan-2-one
CID 58109153
(6R)-3-[(1S)-1-[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]phenyl]ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
CID 58485363
6-(4-fluorophenyl)-6-prop-2-enyl-3-[(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-1,3-oxazinan-2-one
CID 66857409
Tert-butyl 3-(3-methyltriazol-4-yl)-2-phenyl-3-phenylmethoxy-5-(trifluoromethyl)piperidine-1-carboxylate
CID 67665980
2-[4-[1-(4-Fluorophenyl)triazol-4-yl]phenyl]morpholine-4-carboxylic acid
CID 89690911
6-(4-Fluorophenyl)-6-prop-2-enyl-3-[1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-1,3-oxazinan-2-one
CID 91464100
(2S)-2-tert-butyl-2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine-4-carboxylic acid
CID 118412981

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one (CID 50905737) is 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one is C=C(C)CC1(c2ccccc2)CCN(C(C)(C)c2cn(-c3ccccc3)nn2)C(=O)O1.
What is the InChIKey of 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one?
The InChIKey is NGZAMCWHHYZIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-19(2)17-25(20-11-7-5-8-12-20)15-16-28(23(30)31-25)24(3,4)22-18-29(27-26-22)21-13-9-6-10-14-21/h5-14,18H,1,15-17H2,2-4H3.
What are the key properties of 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one?
6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one has a molecular weight of 416.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-2-enyl)-6-phenyl-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]-1,3-oxazinan-2-one is sourced from PubChem (CID 50905737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).