[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone

C20H25FN4O2 — CID 95200907

IUPAC[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESCCN1CCN(Cc2cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C20H25FN4O2/c1-2-23-9-11-24(12-10-23)14-17-13-18(22-27-17)20(26)25-8-7-19(25)15-3-5-16(21)6-4-15/h3-6,13,19H,2,7-12,14H2,1H3/t19-/m0/s1
InChIKeyCZFSDKASHPCJCU-IBGZPJMESA-N
MW372.44 g/mol
LogP2.54
Rot. Bonds5

About [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone

[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone (PubChem CID 95200907) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
PubChem CID95200907
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESCCN1CCN(Cc2cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C20H25FN4O2/c1-2-23-9-11-24(12-10-23)14-17-13-18(22-27-17)20(26)25-8-7-19(25)15-3-5-16(21)6-4-15/h3-6,13,19H,2,7-12,14H2,1H3/t19-/m0/s1
InChIKeyCZFSDKASHPCJCU-IBGZPJMESA-N
XLogP2.54
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736228
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone
CID 95199241
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70713095
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 25383954
[2-(4-fluorophenyl)cyclopropyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51295547
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56706860
[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 91839043
[(2S)-2-(4-fluorophenyl)azetidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126428959
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893649

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone?
The IUPAC name of [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone (CID 95200907) is [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone.
What is the SMILES notation for [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone?
The canonical SMILES for [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone is CCN1CCN(Cc2cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)no2)CC1.
What is the InChIKey of [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone?
The InChIKey is CZFSDKASHPCJCU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-2-23-9-11-24(12-10-23)14-17-13-18(22-27-17)20(26)25-8-7-19(25)15-3-5-16(21)6-4-15/h3-6,13,19H,2,7-12,14H2,1H3/t19-/m0/s1.
What are the key properties of [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone?
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone has a molecular weight of 372.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 95200907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).