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

C19H23N3O3 — CID 110098205

IUPAC1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCCCc1cc(C(=O)N2CCN(C(C)=O)CC2c2ccccc2)no1
InChIInChI=1S/C19H23N3O3/c1-3-7-16-12-17(20-25-16)19(24)22-11-10-21(14(2)23)13-18(22)15-8-5-4-6-9-15/h4-6,8-9,12,18H,3,7,10-11,13H2,1-2H3
InChIKeyLNBSUYITRTXGLB-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.67
Rot. Bonds4

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

1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110098205) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110098205
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCCCc1cc(C(=O)N2CCN(C(C)=O)CC2c2ccccc2)no1
InChIInChI=1S/C19H23N3O3/c1-3-7-16-12-17(20-25-16)19(24)22-11-10-21(14(2)23)13-18(22)15-8-5-4-6-9-15/h4-6,8-9,12,18H,3,7,10-11,13H2,1-2H3
InChIKeyLNBSUYITRTXGLB-UHFFFAOYSA-N
XLogP2.67
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
1-[(3S)-4-(2-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124986438
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124956509
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 70728444
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 22427573
(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72938463
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone (CID 110098205) is 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone is CCCc1cc(C(=O)N2CCN(C(C)=O)CC2c2ccccc2)no1.
What is the InChIKey of 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is LNBSUYITRTXGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-7-16-12-17(20-25-16)19(24)22-11-10-21(14(2)23)13-18(22)15-8-5-4-6-9-15/h4-6,8-9,12,18H,3,7,10-11,13H2,1-2H3.
What are the key properties of 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone?
1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110098205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).