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

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Related Compounds

4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
1-(5-chloro-2-piperidin-1-ylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 112824885
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756
4,5-difluoro-2-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361376
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 3961026
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325

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).