1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one

C22H28N4O3 — CID 92589175

IUPAC1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESCCc1ccccc1Nc1noc2c1CN(C(=O)CCCN1CCCC1=O)CC2
InChIInChI=1S/C22H28N4O3/c1-2-16-7-3-4-8-18(16)23-22-17-15-26(14-11-19(17)29-24-22)21(28)10-6-13-25-12-5-9-20(25)27/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,23,24)
InChIKeyMUBKJAOFRPNERZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.27
Rot. Bonds7

About 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one

1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one (PubChem CID 92589175) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one
PubChem CID92589175
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESCCc1ccccc1Nc1noc2c1CN(C(=O)CCCN1CCCC1=O)CC2
InChIInChI=1S/C22H28N4O3/c1-2-16-7-3-4-8-18(16)23-22-17-15-26(14-11-19(17)29-24-22)21(28)10-6-13-25-12-5-9-20(25)27/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,23,24)
InChIKeyMUBKJAOFRPNERZ-UHFFFAOYSA-N
XLogP3.27
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one with MolForge

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Related Compounds

[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-methoxycyclohexyl)methanone
CID 98135079
1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one
CID 42158190
1-[4-[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutyl]pyrrolidin-2-one
CID 124756894
1-[4-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]pyrrolidin-2-one
CID 91838729
2-methoxy-1-[3-[3-(trifluoromethyl)anilino]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 92610851
(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 92561275
[3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone
CID 92561249
1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111558837
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
ethyl 3-[(2-fluorophenyl)methyl]-1-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperidine-3-carboxylate
CID 45202817
1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one
CID 70758198
1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 95812324

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one (CID 92589175) is 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one is CCc1ccccc1Nc1noc2c1CN(C(=O)CCCN1CCCC1=O)CC2.
What is the InChIKey of 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is MUBKJAOFRPNERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-2-16-7-3-4-8-18(16)23-22-17-15-26(14-11-19(17)29-24-22)21(28)10-6-13-25-12-5-9-20(25)27/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,23,24).
What are the key properties of 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one?
1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 396.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 92589175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).