[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C20H24N4O3 — CID 92633071

IUPAC[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H24N4O3/c1-14-18(15(2)27-21-14)20(26)24-12-16(13-24)19(25)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3
InChIKeyVRTBRZPHGILFNI-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.71
Rot. Bonds3

About [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 92633071) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID92633071
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H24N4O3/c1-14-18(15(2)27-21-14)20(26)24-12-16(13-24)19(25)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3
InChIKeyVRTBRZPHGILFNI-UHFFFAOYSA-N
XLogP1.71
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3759803
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2164712
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3341324
(5-amino-1-phenylpyrazol-4-yl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methanone
CID 110239660
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510999
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2741374
(3,5-dimethyl-1,2-oxazol-4-yl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234281
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680882

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 92633071) is [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VRTBRZPHGILFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-18(15(2)27-21-14)20(26)24-12-16(13-24)19(25)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,16H,8-13H2,1-2H3.
What are the key properties of [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 92633071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).