1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea

C18H25FN2O3 — CID 71934968

IUPAC1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NC1CCOCC1)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C18H25FN2O3/c19-15-4-1-3-14(11-15)12-21(13-17-5-2-8-24-17)18(22)20-16-6-9-23-10-7-16/h1,3-4,11,16-17H,2,5-10,12-13H2,(H,20,22)
InChIKeyMWBHLSOXEAOJOT-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.70
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea

1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea (PubChem CID 71934968) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea
PubChem CID71934968
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NC1CCOCC1)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C18H25FN2O3/c19-15-4-1-3-14(11-15)12-21(13-17-5-2-8-24-17)18(22)20-16-6-9-23-10-7-16/h1,3-4,11,16-17H,2,5-10,12-13H2,(H,20,22)
InChIKeyMWBHLSOXEAOJOT-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea 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 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea (CID 71934968) is 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea is O=C(NC1CCOCC1)N(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea?
The InChIKey is MWBHLSOXEAOJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-15-4-1-3-14(11-15)12-21(13-17-5-2-8-24-17)18(22)20-16-6-9-23-10-7-16/h1,3-4,11,16-17H,2,5-10,12-13H2,(H,20,22).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea?
1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea has a molecular weight of 336.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 71934968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).