4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide

C17H19ClN4O4 — CID 155916257

IUPAC4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide
SMILESCc1nonc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN4O4/c1-9-14(22-26-21-9)8-19-16(24)11-6-13(15(23)7-11)20-17(25)10-2-4-12(18)5-3-10/h2-5,11,13,15,23H,6-8H2,1H3,(H,19,24)(H,20,25)/t11-,13+,15+/m0/s1
InChIKeyHTZXUAJSSRASQV-NJZAAPMLSA-N
MW378.82 g/mol
LogP1.22
Rot. Bonds5

About 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide

4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide (PubChem CID 155916257) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide
PubChem CID155916257
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC Name4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide
SMILESCc1nonc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN4O4/c1-9-14(22-26-21-9)8-19-16(24)11-6-13(15(23)7-11)20-17(25)10-2-4-12(18)5-3-10/h2-5,11,13,15,23H,6-8H2,1H3,(H,19,24)(H,20,25)/t11-,13+,15+/m0/s1
InChIKeyHTZXUAJSSRASQV-NJZAAPMLSA-N
XLogP1.22
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide (CID 155916257) is 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide is Cc1nonc1CNC(=O)[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide?
The InChIKey is HTZXUAJSSRASQV-NJZAAPMLSA-N. The full InChI is InChI=1S/C17H19ClN4O4/c1-9-14(22-26-21-9)8-19-16(24)11-6-13(15(23)7-11)20-17(25)10-2-4-12(18)5-3-10/h2-5,11,13,15,23H,6-8H2,1H3,(H,19,24)(H,20,25)/t11-,13+,15+/m0/s1.
What are the key properties of 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide?
4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide has a molecular weight of 378.82 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R,4S)-2-hydroxy-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methylcarbamoyl]cyclopentyl]benzamide is sourced from PubChem (CID 155916257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).