(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C18H22N4O2 — CID 120996015

IUPAC(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1coc(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H22N4O2/c23-18(16-13-24-17(20-16)14-4-2-1-3-5-14)22-9-6-15(12-22)21-10-7-19-8-11-21/h1-5,13,15,19H,6-12H2
InChIKeyTYBSBVRTHIXYRF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.46
Rot. Bonds3

About (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120996015) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120996015
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1coc(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C18H22N4O2/c23-18(16-13-24-17(20-16)14-4-2-1-3-5-14)22-9-6-15(12-22)21-10-7-19-8-11-21/h1-5,13,15,19H,6-12H2
InChIKeyTYBSBVRTHIXYRF-UHFFFAOYSA-N
XLogP1.46
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996125
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995171
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995020
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119520922
(2-chloro-5-phenylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997706
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119625411
[5-(furan-2-yl)-1H-pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995824
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997655

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120996015) is (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(c1coc(-c2ccccc2)n1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is TYBSBVRTHIXYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(16-13-24-17(20-16)14-4-2-1-3-5-14)22-9-6-15(12-22)21-10-7-19-8-11-21/h1-5,13,15,19H,6-12H2.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120996015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).