1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea

C19H23N3O3 — CID 75536770

IUPAC1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)Nc1ccccc1
InChIInChI=1S/C19H23N3O3/c23-18-16(20-11-14-7-3-1-4-8-14)13-25-17(18)12-21-19(24)22-15-9-5-2-6-10-15/h1-10,16-18,20,23H,11-13H2,(H2,21,22,24)/t16-,17-,18+/m1/s1
InChIKeyWEOBDGZLMXKDSC-KURKYZTESA-N
MW341.41 g/mol
LogP1.73
Rot. Bonds6

About 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea

1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea (PubChem CID 75536770) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea
PubChem CID75536770
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)Nc1ccccc1
InChIInChI=1S/C19H23N3O3/c23-18-16(20-11-14-7-3-1-4-8-14)13-25-17(18)12-21-19(24)22-15-9-5-2-6-10-15/h1-10,16-18,20,23H,11-13H2,(H2,21,22,24)/t16-,17-,18+/m1/s1
InChIKeyWEOBDGZLMXKDSC-KURKYZTESA-N
XLogP1.73
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea 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-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea (CID 75536770) is 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea is O=C(NC[C@H]1OC[C@@H](NCc2ccccc2)[C@@H]1O)Nc1ccccc1.
What is the InChIKey of 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea?
The InChIKey is WEOBDGZLMXKDSC-KURKYZTESA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18-16(20-11-14-7-3-1-4-8-14)13-25-17(18)12-21-19(24)22-15-9-5-2-6-10-15/h1-10,16-18,20,23H,11-13H2,(H2,21,22,24)/t16-,17-,18+/m1/s1.
What are the key properties of 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea?
1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea has a molecular weight of 341.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 75536770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).