[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C19H21N5O2 — CID 110417276

IUPAC[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCCc1nnc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)o1
InChIInChI=1S/C19H21N5O2/c1-2-17-20-21-19(26-17)24-13-11-23(12-14-24)18(25)15-5-7-16(8-6-15)22-9-3-4-10-22/h3-10H,2,11-14H2,1H3
InChIKeyNLTQVDSSSRGGQM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.39
Rot. Bonds4

About [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 110417276) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID110417276
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCCc1nnc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)o1
InChIInChI=1S/C19H21N5O2/c1-2-17-20-21-19(26-17)24-13-11-23(12-14-24)18(25)15-5-7-16(8-6-15)22-9-3-4-10-22/h3-10H,2,11-14H2,1H3
InChIKeyNLTQVDSSSRGGQM-UHFFFAOYSA-N
XLogP2.39
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084
3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110665132
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 110419177
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122334710
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 110610803
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110419224
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110665131
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110665148
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 110417276) is [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is CCc1nnc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)o1.
What is the InChIKey of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is NLTQVDSSSRGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-17-20-21-19(26-17)24-13-11-23(12-14-24)18(25)15-5-7-16(8-6-15)22-9-3-4-10-22/h3-10H,2,11-14H2,1H3.
What are the key properties of [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 110417276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).