N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide

C17H21N5O3 — CID 136562477

IUPACN-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
InChIInChI=1S/C17H21N5O3/c1-11-18-15(20-25-11)13-8-9-22(10-13)17(24)19-14-6-4-12(5-7-14)16(23)21(2)3/h4-7,13H,8-10H2,1-3H3,(H,19,24)
InChIKeyFRBSAFKMFKMZIC-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.10
Rot. Bonds3

About N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 136562477) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID136562477
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1
InChIInChI=1S/C17H21N5O3/c1-11-18-15(20-25-11)13-8-9-22(10-13)17(24)19-14-6-4-12(5-7-14)16(23)21(2)3/h4-7,13H,8-10H2,1-3H3,(H,19,24)
InChIKeyFRBSAFKMFKMZIC-UHFFFAOYSA-N
XLogP2.10
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72923845
N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 47198823
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146138655
N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 118794893
(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 97436643
(3-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 155954717
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734396
(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 95734813
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
[4-(5-methylfuran-2-yl)phenyl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118793305
[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95771104

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide (CID 136562477) is N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is Cc1nc(C2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)no1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is FRBSAFKMFKMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-18-15(20-25-11)13-8-9-22(10-13)17(24)19-14-6-4-12(5-7-14)16(23)21(2)3/h4-7,13H,8-10H2,1-3H3,(H,19,24).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136562477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).