1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea

C16H21ClN2O4 — CID 99717936

IUPAC1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea
SMILESO=C(NO[C@@H]1CCCCO1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O4/c17-12-6-4-11(5-7-12)15-13(8-10-22-15)18-16(20)19-23-14-3-1-2-9-21-14/h4-7,13-15H,1-3,8-10H2,(H2,18,19,20)/t13-,14-,15-/m1/s1
InChIKeyBSDQRSPCFBYXBX-RBSFLKMASA-N
MW340.81 g/mol
LogP2.93
Rot. Bonds4

About 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea

1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea (PubChem CID 99717936) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea.

Molecular Properties

Compound Name1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea
PubChem CID99717936
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea
SMILESO=C(NO[C@@H]1CCCCO1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O4/c17-12-6-4-11(5-7-12)15-13(8-10-22-15)18-16(20)19-23-14-3-1-2-9-21-14/h4-7,13-15H,1-3,8-10H2,(H2,18,19,20)/t13-,14-,15-/m1/s1
InChIKeyBSDQRSPCFBYXBX-RBSFLKMASA-N
XLogP2.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
CID 98875908
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615405
1-(3,4-dihydro-2H-chromen-3-yl)-3-(oxan-2-yloxy)urea
CID 91649447
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97122784
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea?
The IUPAC name of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea (CID 99717936) is 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea.
What is the SMILES notation for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea?
The canonical SMILES for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea is O=C(NO[C@@H]1CCCCO1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea?
The InChIKey is BSDQRSPCFBYXBX-RBSFLKMASA-N. The full InChI is InChI=1S/C16H21ClN2O4/c17-12-6-4-11(5-7-12)15-13(8-10-22-15)18-16(20)19-23-14-3-1-2-9-21-14/h4-7,13-15H,1-3,8-10H2,(H2,18,19,20)/t13-,14-,15-/m1/s1.
What are the key properties of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea?
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea has a molecular weight of 340.81 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea is sourced from PubChem (CID 99717936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).