[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone

C19H16ClN3O3 — CID 110399432

IUPAC[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ocnc3c2)CC1
InChIInChI=1S/C19H16ClN3O3/c20-15-3-1-2-13(10-15)18(24)22-6-8-23(9-7-22)19(25)14-4-5-17-16(11-14)21-12-26-17/h1-5,10-12H,6-9H2
InChIKeyYGFOCBUQIHMPKJ-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.08
Rot. Bonds2

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

[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 110399432) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
PubChem CID110399432
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ocnc3c2)CC1
InChIInChI=1S/C19H16ClN3O3/c20-15-3-1-2-13(10-15)18(24)22-6-8-23(9-7-22)19(25)14-4-5-17-16(11-14)21-12-26-17/h1-5,10-12H,6-9H2
InChIKeyYGFOCBUQIHMPKJ-UHFFFAOYSA-N
XLogP3.08
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(1,3-benzoxazol-5-yl)methanone
CID 110399436
methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
CID 110399443
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 110399395
1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110388164
(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
1,3-benzoxazol-5-yl-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108811720
[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone
CID 110803826
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-chlorobenzamide
CID 110707375
1,3-benzoxazol-6-yl-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110808019
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(3-chlorophenyl)methanone
CID 120899361
1-[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802742
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone (CID 110399432) is [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ocnc3c2)CC1.
What is the InChIKey of [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is YGFOCBUQIHMPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-15-3-1-2-13(10-15)18(24)22-6-8-23(9-7-22)19(25)14-4-5-17-16(11-14)21-12-26-17/h1-5,10-12H,6-9H2.
What are the key properties of [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 369.81 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 110399432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).