1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea

C16H21F2N3O3 — CID 133129107

IUPAC1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
SMILESO=C(Nc1cccc(OC(F)F)c1)N[C@@H]1COC[C@H]1N1CCCC1
InChIInChI=1S/C16H21F2N3O3/c17-15(18)24-12-5-3-4-11(8-12)19-16(22)20-13-9-23-10-14(13)21-6-1-2-7-21/h3-5,8,13-15H,1-2,6-7,9-10H2,(H2,19,20,22)/t13-,14-/m1/s1
InChIKeyJIMBMEKYSCKKCC-ZIAGYGMSSA-N
MW341.36 g/mol
LogP2.27
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea

1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea (PubChem CID 133129107) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
PubChem CID133129107
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
SMILESO=C(Nc1cccc(OC(F)F)c1)N[C@@H]1COC[C@H]1N1CCCC1
InChIInChI=1S/C16H21F2N3O3/c17-15(18)24-12-5-3-4-11(8-12)19-16(22)20-13-9-23-10-14(13)21-6-1-2-7-21/h3-5,8,13-15H,1-2,6-7,9-10H2,(H2,19,20,22)/t13-,14-/m1/s1
InChIKeyJIMBMEKYSCKKCC-ZIAGYGMSSA-N
XLogP2.27
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea 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

1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133138704
1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
CID 86776784
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 118793961
methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 56823494
1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea
CID 133134827
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
methyl 2-chloro-5-[[(3S,4S)-4-morpholin-4-yloxolan-3-yl]carbamoylamino]benzoate
CID 133129286
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
1-[3-(difluoromethoxy)phenyl]-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356536
1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 118779891
1-(1-adamantyl)-3-[3-(difluoromethoxy)phenyl]urea
CID 70694281
1-[3-(difluoromethoxy)phenyl]-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)urea
CID 51081801

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea (CID 133129107) is 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea is O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1COC[C@H]1N1CCCC1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The InChIKey is JIMBMEKYSCKKCC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c17-15(18)24-12-5-3-4-11(8-12)19-16(22)20-13-9-23-10-14(13)21-6-1-2-7-21/h3-5,8,13-15H,1-2,6-7,9-10H2,(H2,19,20,22)/t13-,14-/m1/s1.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea?
1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea has a molecular weight of 341.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea is sourced from PubChem (CID 133129107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).