(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone

C19H17ClN4O2 — CID 110416623

IUPAC(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-15(16)18(25)23-10-12-24(13-11-23)19-22-21-17(26-19)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeySVORQUNRBBCASF-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.35
Rot. Bonds3

About (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone

(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 110416623) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID110416623
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-15(16)18(25)23-10-12-24(13-11-23)19-22-21-17(26-19)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeySVORQUNRBBCASF-UHFFFAOYSA-N
XLogP3.35
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110642266
N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110642272
benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110642275
(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
CID 6407348
1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110642249
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166848
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166825
1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 145287275
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
(3-chloro-2-methylphenyl)-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 71654170
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110391253

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (CID 110416623) is (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is SVORQUNRBBCASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-15(16)18(25)23-10-12-24(13-11-23)19-22-21-17(26-19)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 368.82 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110416623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).