4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide

C16H17ClN2O4S — CID 91795550

IUPAC4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(Cl)cc1O
InChIInChI=1S/C16H17ClN2O4S/c17-10-1-2-12(14(20)5-10)16(21)19-13-3-4-22-7-15(13)23-6-11-8-24-9-18-11/h1-2,5,8-9,13,15,20H,3-4,6-7H2,(H,19,21)/t13-,15-/m1/s1
InChIKeyXHVHPIGERYDJLZ-UKRRQHHQSA-N
MW368.84 g/mol
LogP2.61
Rot. Bonds5

About 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide

4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide (PubChem CID 91795550) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
PubChem CID91795550
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(Cl)cc1O
InChIInChI=1S/C16H17ClN2O4S/c17-10-1-2-12(14(20)5-10)16(21)19-13-3-4-22-7-15(13)23-6-11-8-24-9-18-11/h1-2,5,8-9,13,15,20H,3-4,6-7H2,(H,19,21)/t13-,15-/m1/s1
InChIKeyXHVHPIGERYDJLZ-UKRRQHHQSA-N
XLogP2.61
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-thiazole-4-carboxamide
CID 91762940
4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
CID 91797119
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 91772273
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91794482
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91759736
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
CID 91793986
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
CID 91789371
4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91765856
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794
1,2,5-trimethyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]pyrrole-3-carboxamide
CID 91779011
1-[(3-fluorophenyl)methyl]-3-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]urea
CID 91798261
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91774352

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide (CID 91795550) is 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
The InChIKey is XHVHPIGERYDJLZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c17-10-1-2-12(14(20)5-10)16(21)19-13-3-4-22-7-15(13)23-6-11-8-24-9-18-11/h1-2,5,8-9,13,15,20H,3-4,6-7H2,(H,19,21)/t13-,15-/m1/s1.
What are the key properties of 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide?
4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide has a molecular weight of 368.84 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide is sourced from PubChem (CID 91795550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).