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

C21H18ClN3O3 — CID 35036906

IUPAC(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C21H18ClN3O3/c22-17-8-4-7-16(13-17)20(26)24-9-11-25(12-10-24)21(27)18-14-19(28-23-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2
InChIKeyMFPDTSOIILXNAN-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.59
Rot. Bonds3

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

(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 35036906) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID35036906
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C21H18ClN3O3/c22-17-8-4-7-16(13-17)20(26)24-9-11-25(12-10-24)21(27)18-14-19(28-23-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2
InChIKeyMFPDTSOIILXNAN-UHFFFAOYSA-N
XLogP3.59
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862422
(5-chloro-2-fluorophenyl)-[4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methanone
CID 55724441
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110888415
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682971
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[2-(3-chlorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110356637
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (CID 35036906) is (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is MFPDTSOIILXNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-17-8-4-7-16(13-17)20(26)24-9-11-25(12-10-24)21(27)18-14-19(28-23-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2.
What are the key properties of (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 395.85 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35036906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).