(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

C18H18N4O2 — CID 154770708

IUPAC(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c(C)[nH]1
InChIInChI=1S/C18H18N4O2/c1-11-8-15(12(2)19-11)18(23)22-9-14(10-22)17-20-16(21-24-17)13-6-4-3-5-7-13/h3-8,14,19H,9-10H2,1-2H3
InChIKeyFDLDSJIBYXCRBP-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.92
Rot. Bonds3

About (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (PubChem CID 154770708) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
PubChem CID154770708
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c(C)[nH]1
InChIInChI=1S/C18H18N4O2/c1-11-8-15(12(2)19-11)18(23)22-9-14(10-22)17-20-16(21-24-17)13-6-4-3-5-7-13/h3-8,14,19H,9-10H2,1-2H3
InChIKeyFDLDSJIBYXCRBP-UHFFFAOYSA-N
XLogP2.92
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 154779746
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 86889600
(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56764561
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
(2,4-difluorophenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051982
2-(6-methyl-3-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 138024658
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
(1-methyl-3-phenylpyrazol-5-yl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 71784092
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121095297
(2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095280
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 121096603

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The IUPAC name of (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (CID 154770708) is (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is Cc1cc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c(C)[nH]1.
What is the InChIKey of (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The InChIKey is FDLDSJIBYXCRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-8-15(12(2)19-11)18(23)22-9-14(10-22)17-20-16(21-24-17)13-6-4-3-5-7-13/h3-8,14,19H,9-10H2,1-2H3.
What are the key properties of (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 154770708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).