N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C19H24N4O3 — CID 131890638

IUPACN-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccccc1-c1noc(C(C)NC(=O)CCCN2CCCC2=O)n1
InChIInChI=1S/C19H24N4O3/c1-13-7-3-4-8-15(13)18-21-19(26-22-18)14(2)20-16(24)9-5-11-23-12-6-10-17(23)25/h3-4,7-8,14H,5-6,9-12H2,1-2H3,(H,20,24)
InChIKeyWWGCQPIUSVXGDF-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.62
Rot. Bonds7

About N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 131890638) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID131890638
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1ccccc1-c1noc(C(C)NC(=O)CCCN2CCCC2=O)n1
InChIInChI=1S/C19H24N4O3/c1-13-7-3-4-8-15(13)18-21-19(26-22-18)14(2)20-16(24)9-5-11-23-12-6-10-17(23)25/h3-4,7-8,14H,5-6,9-12H2,1-2H3,(H,20,24)
InChIKeyWWGCQPIUSVXGDF-UHFFFAOYSA-N
XLogP2.62
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 125443326
4-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]butanamide
CID 99926183
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131905398
N-[(1R)-2-methyl-1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 95352258
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101380
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 136528859
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124755565
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 125165780
3-(5-methyltetrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118788261

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 131890638) is N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1ccccc1-c1noc(C(C)NC(=O)CCCN2CCCC2=O)n1.
What is the InChIKey of N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is WWGCQPIUSVXGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-7-3-4-8-15(13)18-21-19(26-22-18)14(2)20-16(24)9-5-11-23-12-6-10-17(23)25/h3-4,7-8,14H,5-6,9-12H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 356.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 131890638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).