2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C20H18ClN3O3 — CID 2023347

IUPAC2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C20H18ClN3O3/c21-17-10-4-3-9-16(17)18-23-20(27-24-18)15-8-2-1-7-14(15)19(25)22-12-13-6-5-11-26-13/h1-4,7-10,13H,5-6,11-12H2,(H,22,25)/t13-/m0/s1
InChIKeyXVEBCRXFAXAOFK-ZDUSSCGKSA-N
MW383.84 g/mol
LogP3.97
Rot. Bonds5

About 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 2023347) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID2023347
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1-c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C20H18ClN3O3/c21-17-10-4-3-9-16(17)18-23-20(27-24-18)15-8-2-1-7-14(15)19(25)22-12-13-6-5-11-26-13/h1-4,7-10,13H,5-6,11-12H2,(H,22,25)/t13-/m0/s1
InChIKeyXVEBCRXFAXAOFK-ZDUSSCGKSA-N
XLogP3.97
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-[(2-chlorobenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935508
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 3482177
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
1-[(2-chlorobenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 47102501
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169333386
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 2023347) is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccccc1-c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is XVEBCRXFAXAOFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-17-10-4-3-9-16(17)18-23-20(27-24-18)15-8-2-1-7-14(15)19(25)22-12-13-6-5-11-26-13/h1-4,7-10,13H,5-6,11-12H2,(H,22,25)/t13-/m0/s1.
What are the key properties of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 383.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 2023347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).