2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C17H18ClFN4O3 — CID 55842443

IUPAC2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)on1
InChIInChI=1S/C17H18ClFN4O3/c1-11-8-16(26-21-11)20-15(24)10-22-4-6-23(7-5-22)17(25)13-9-12(18)2-3-14(13)19/h2-3,8-9H,4-7,10H2,1H3,(H,20,24)
InChIKeyDNILTEOWKILKES-UHFFFAOYSA-N
MW380.81 g/mol
LogP2.17
Rot. Bonds4

About 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 55842443) has the molecular formula C17H18ClFN4O3 and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID55842443
Molecular FormulaC17H18ClFN4O3
Molecular Weight380.81 g/mol
Exact Mass380.11
IUPAC Name2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)on1
InChIInChI=1S/C17H18ClFN4O3/c1-11-8-16(26-21-11)20-15(24)10-22-4-6-23(7-5-22)17(25)13-9-12(18)2-3-14(13)19/h2-3,8-9H,4-7,10H2,1H3,(H,20,24)
InChIKeyDNILTEOWKILKES-UHFFFAOYSA-N
XLogP2.17
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 86924346
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
N-tert-butyl-2-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 47017216
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 87037493
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 55842443) is 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)on1.
What is the InChIKey of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is DNILTEOWKILKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O3/c1-11-8-16(26-21-11)20-15(24)10-22-4-6-23(7-5-22)17(25)13-9-12(18)2-3-14(13)19/h2-3,8-9H,4-7,10H2,1H3,(H,20,24).
What are the key properties of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 380.81 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 55842443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).