1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea

C16H22ClN3O3 — CID 95291147

IUPAC1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CCCOC1
InChIInChI=1S/C16H22ClN3O3/c17-12-3-4-15(20-5-8-22-9-6-20)14(10-12)19-16(21)18-13-2-1-7-23-11-13/h3-4,10,13H,1-2,5-9,11H2,(H2,18,19,21)/t13-/m0/s1
InChIKeyUFJIMFNVVRHJON-ZDUSSCGKSA-N
MW339.82 g/mol
LogP2.48
Rot. Bonds3

About 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea

1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea (PubChem CID 95291147) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
PubChem CID95291147
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CCCOC1
InChIInChI=1S/C16H22ClN3O3/c17-12-3-4-15(20-5-8-22-9-6-20)14(10-12)19-16(21)18-13-2-1-7-23-11-13/h3-4,10,13H,1-2,5-9,11H2,(H2,18,19,21)/t13-/m0/s1
InChIKeyUFJIMFNVVRHJON-ZDUSSCGKSA-N
XLogP2.48
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea?
The IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea (CID 95291147) is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea?
The canonical SMILES for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea is O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CCCOC1.
What is the InChIKey of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea?
The InChIKey is UFJIMFNVVRHJON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c17-12-3-4-15(20-5-8-22-9-6-20)14(10-12)19-16(21)18-13-2-1-7-23-11-13/h3-4,10,13H,1-2,5-9,11H2,(H2,18,19,21)/t13-/m0/s1.
What are the key properties of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea?
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea has a molecular weight of 339.82 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea is sourced from PubChem (CID 95291147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).