4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide

C15H15ClN2O3S — CID 97245755

IUPAC4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide
SMILESO=C(NOCc1csc([C@H]2CCCO2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3S/c16-11-5-3-10(4-6-11)14(19)18-21-8-12-9-22-15(17-12)13-2-1-7-20-13/h3-6,9,13H,1-2,7-8H2,(H,18,19)/t13-/m1/s1
InChIKeyCVOMAQSPXMFXJD-CYBMUJFWSA-N
MW338.82 g/mol
LogP3.51
Rot. Bonds5

About 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide

4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide (PubChem CID 97245755) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide
PubChem CID97245755
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide
SMILESO=C(NOCc1csc([C@H]2CCCO2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3S/c16-11-5-3-10(4-6-11)14(19)18-21-8-12-9-22-15(17-12)13-2-1-7-20-13/h3-6,9,13H,1-2,7-8H2,(H,18,19)/t13-/m1/s1
InChIKeyCVOMAQSPXMFXJD-CYBMUJFWSA-N
XLogP3.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide?
The IUPAC name of 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide (CID 97245755) is 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide.
What is the SMILES notation for 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide?
The canonical SMILES for 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide is O=C(NOCc1csc([C@H]2CCCO2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide?
The InChIKey is CVOMAQSPXMFXJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c16-11-5-3-10(4-6-11)14(19)18-21-8-12-9-22-15(17-12)13-2-1-7-20-13/h3-6,9,13H,1-2,7-8H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide?
4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide has a molecular weight of 338.82 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide is sourced from PubChem (CID 97245755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).