2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

C18H23ClN4O2 — CID 167151294

IUPAC2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1noc(C2CCCN2C(=O)C(C)(C)N(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O2/c1-12-20-16(25-21-12)15-6-5-11-23(15)17(24)18(2,3)22(4)14-9-7-13(19)8-10-14/h7-10,15H,5-6,11H2,1-4H3
InChIKeyCYAOFWNBDFFBQR-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 167151294) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID167151294
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1noc(C2CCCN2C(=O)C(C)(C)N(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O2/c1-12-20-16(25-21-12)15-6-5-11-23(15)17(24)18(2,3)22(4)14-9-7-13(19)8-10-14/h7-10,15H,5-6,11H2,1-4H3
InChIKeyCYAOFWNBDFFBQR-UHFFFAOYSA-N
XLogP3.61
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 97105106
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 42765290
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 90564068
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90564141
(4-tert-butylphenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 3983065
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
(4-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4240880
(2-chloro-6-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56730024
(2-chloro-4-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 90564219
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-2-one
CID 90564221
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 4537441
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 167151294) is 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is Cc1noc(C2CCCN2C(=O)C(C)(C)N(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is CYAOFWNBDFFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-12-20-16(25-21-12)15-6-5-11-23(15)17(24)18(2,3)22(4)14-9-7-13(19)8-10-14/h7-10,15H,5-6,11H2,1-4H3.
What are the key properties of 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 362.86 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylanilino)-2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 167151294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).