4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride

C17H21ClN4O3 — CID 120944739

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccc(-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H20N4O3.ClH/c22-14-9-18-7-13(14)8-19-16(23)11-3-5-12(6-4-11)17-20-15(21-24-17)10-1-2-10;/h3-6,10,13-14,18,22H,1-2,7-9H2,(H,19,23);1H
InChIKeyLKWVAVPHZUOCGP-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.35
Rot. Bonds5

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (PubChem CID 120944739) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
PubChem CID120944739
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccc(-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C17H20N4O3.ClH/c22-14-9-18-7-13(14)8-19-16(23)11-3-5-12(6-4-11)17-20-15(21-24-17)10-1-2-10;/h3-6,10,13-14,18,22H,1-2,7-9H2,(H,19,23);1H
InChIKeyLKWVAVPHZUOCGP-UHFFFAOYSA-N
XLogP1.35
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (CID 120944739) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1ccc(-c2nc(C3CC3)no2)cc1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The InChIKey is LKWVAVPHZUOCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.ClH/c22-14-9-18-7-13(14)8-19-16(23)11-3-5-12(6-4-11)17-20-15(21-24-17)10-1-2-10;/h3-6,10,13-14,18,22H,1-2,7-9H2,(H,19,23);1H.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120944739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).