1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea

C19H21F3N2O4 — CID 60577582

IUPAC1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C19H21F3N2O4/c20-19(21,22)13-28-15-5-1-4-14(10-15)23-18(25)24(11-16-6-2-8-26-16)12-17-7-3-9-27-17/h1-2,4-6,8,10,17H,3,7,9,11-13H2,(H,23,25)
InChIKeyOIUXAJTYQAWIFU-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.43
Rot. Bonds7

About 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea

1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea (PubChem CID 60577582) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
PubChem CID60577582
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C19H21F3N2O4/c20-19(21,22)13-28-15-5-1-4-14(10-15)23-18(25)24(11-16-6-2-8-26-16)12-17-7-3-9-27-17/h1-2,4-6,8,10,17H,3,7,9,11-13H2,(H,23,25)
InChIKeyOIUXAJTYQAWIFU-UHFFFAOYSA-N
XLogP4.43
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]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

3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1058655
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 60577749
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4059297
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
1-(furan-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60577323
3-(3-chloro-2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577089
1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95303946
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea (CID 60577582) is 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea is O=C(Nc1cccc(OCC(F)(F)F)c1)N(Cc1ccco1)CC1CCCO1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea?
The InChIKey is OIUXAJTYQAWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c20-19(21,22)13-28-15-5-1-4-14(10-15)23-18(25)24(11-16-6-2-8-26-16)12-17-7-3-9-27-17/h1-2,4-6,8,10,17H,3,7,9,11-13H2,(H,23,25).
What are the key properties of 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea?
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea has a molecular weight of 398.38 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea is sourced from PubChem (CID 60577582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).