3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea

C16H23F2N3O2 — CID 97335969

IUPAC3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea
SMILESCN(C)CCN(C)C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N3O2/c1-20(2)7-8-21(3)16(22)19-14-6-9-23-15(14)11-4-5-12(17)13(18)10-11/h4-5,10,14-15H,6-9H2,1-3H3,(H,19,22)/t14-,15-/m0/s1
InChIKeyJUWLABPRQUQVAO-GJZGRUSLSA-N
MW327.38 g/mol
LogP2.00
Rot. Bonds5

About 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea

3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea (PubChem CID 97335969) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea
PubChem CID97335969
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea
SMILESCN(C)CCN(C)C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N3O2/c1-20(2)7-8-21(3)16(22)19-14-6-9-23-15(14)11-4-5-12(17)13(18)10-11/h4-5,10,14-15H,6-9H2,1-3H3,(H,19,22)/t14-,15-/m0/s1
InChIKeyJUWLABPRQUQVAO-GJZGRUSLSA-N
XLogP2.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea 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-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 97259063
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide
CID 120874088
N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-2-methyl-3-methylsulfanylpropanamide
CID 139021702
1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
CID 75444523
3-[2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120552164
2-(cyanomethylsulfanyl)-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]acetamide
CID 139021696
2-[[3-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122009090
4-cyano-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]oxane-4-carboxamide
CID 139021703
1-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009089
ethyl 3-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-3-oxopropanoate
CID 139021689
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea?
The IUPAC name of 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea (CID 97335969) is 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea.
What is the SMILES notation for 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea?
The canonical SMILES for 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea is CN(C)CCN(C)C(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea?
The InChIKey is JUWLABPRQUQVAO-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-20(2)7-8-21(3)16(22)19-14-6-9-23-15(14)11-4-5-12(17)13(18)10-11/h4-5,10,14-15H,6-9H2,1-3H3,(H,19,22)/t14-,15-/m0/s1.
What are the key properties of 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea?
3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea has a molecular weight of 327.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea is sourced from PubChem (CID 97335969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).