[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone

C22H24N4O4 — CID 118639566

IUPAC[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5c(c4)NCO5)cc3)CC2)COC1
InChIInChI=1S/C22H24N4O4/c23-22(12-29-13-22)21(28)26-9-7-25(8-10-26)20(27)16-3-1-15(2-4-16)17-5-6-19-18(11-17)24-14-30-19/h1-6,11,24H,7-10,12-14,23H2
InChIKeyOFZPOMLIUZHSJO-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.13
Rot. Bonds3

About [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone

[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone (PubChem CID 118639566) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone
PubChem CID118639566
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5c(c4)NCO5)cc3)CC2)COC1
InChIInChI=1S/C22H24N4O4/c23-22(12-29-13-22)21(28)26-9-7-25(8-10-26)20(27)16-3-1-15(2-4-16)17-5-6-19-18(11-17)24-14-30-19/h1-6,11,24H,7-10,12-14,23H2
InChIKeyOFZPOMLIUZHSJO-UHFFFAOYSA-N
XLogP1.13
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,3-dihydro-1,3-benzoxazol-5-yl)-3-fluorophenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 139377327
N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide
CID 118633893
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(1,3-benzothiazol-2-yl)phenyl]methanone
CID 118621640
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(6-chloro-2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]methanone
CID 118639681
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethyl-2,3-dihydroindazol-5-yl)phenyl]methanone
CID 118639669
[(2S)-4-(1-aminocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-[4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639736
[4-(2,3-dihydro-1,3-benzothiazol-6-yl)phenyl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
CID 118639648
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(1,3-dimethylindazol-5-yl)phenyl]methanone
CID 118621575
[4-[3-amino-4-(methylaminomethyl)phenyl]phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
CID 118639792
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 64891958
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639745

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone?
The IUPAC name of [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone (CID 118639566) is [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone is NC1(C(=O)N2CCN(C(=O)c3ccc(-c4ccc5c(c4)NCO5)cc3)CC2)COC1.
What is the InChIKey of [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone?
The InChIKey is OFZPOMLIUZHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c23-22(12-29-13-22)21(28)26-9-7-25(8-10-26)20(27)16-3-1-15(2-4-16)17-5-6-19-18(11-17)24-14-30-19/h1-6,11,24H,7-10,12-14,23H2.
What are the key properties of [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone?
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone has a molecular weight of 408.46 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]methanone is sourced from PubChem (CID 118639566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).