2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone

C15H18N4O2 — CID 178127754

IUPAC2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2nnc(NCC(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C15H18N4O2/c1-11-4-6-12(7-5-11)14-17-18-15(21-14)16-10-13(20)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyFNXUZAHJKWEZGO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.08
Rot. Bonds4

About 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone

2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 178127754) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID178127754
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2nnc(NCC(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C15H18N4O2/c1-11-4-6-12(7-5-11)14-17-18-15(21-14)16-10-13(20)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyFNXUZAHJKWEZGO-UHFFFAOYSA-N
XLogP2.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
CID 171631786
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 654962
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-pyrrolidin-1-ylethanone
CID 5110109
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone
CID 106958394
(2S)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7556794
2-methyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854563
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939
methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 5080102
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(2,3-dihydro-1H-pyrazol-5-yl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632438

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone (CID 178127754) is 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone is Cc1ccc(-c2nnc(NCC(=O)N3CCCC3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is FNXUZAHJKWEZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-4-6-12(7-5-11)14-17-18-15(21-14)16-10-13(20)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone?
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 286.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 178127754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).