2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C20H22N4O4 — CID 46406423

IUPAC2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2CCN(C(=O)c3cc4ccccc4o3)CC2)on1
InChIInChI=1S/C20H22N4O4/c1-13-11-18(28-22-13)21-19(25)14(2)23-7-9-24(10-8-23)20(26)17-12-15-5-3-4-6-16(15)27-17/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,25)
InChIKeyPPHKLPVINWAJNU-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.51
Rot. Bonds4

About 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 46406423) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID46406423
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2CCN(C(=O)c3cc4ccccc4o3)CC2)on1
InChIInChI=1S/C20H22N4O4/c1-13-11-18(28-22-13)21-19(25)14(2)23-7-9-24(10-8-23)20(26)17-12-15-5-3-4-6-16(15)27-17/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,25)
InChIKeyPPHKLPVINWAJNU-UHFFFAOYSA-N
XLogP2.51
TPSA91.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(2,6-difluorophenyl)propanamide
CID 46406446
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 55916540
(2R)-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 95148704
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
CID 95568099
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
(2S)-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720356
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
1-benzofuran-2-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9151007
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 96522187
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 78896191
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 46406423) is 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)N2CCN(C(=O)c3cc4ccccc4o3)CC2)on1.
What is the InChIKey of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is PPHKLPVINWAJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-11-18(28-22-13)21-19(25)14(2)23-7-9-24(10-8-23)20(26)17-12-15-5-3-4-6-16(15)27-17/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 46406423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).