[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone

C19H21N5O2 — CID 92561302

IUPAC[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1cccc(C)c1Nc1noc2c1CN(C(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C19H21N5O2/c1-12-5-4-6-13(2)17(12)21-18-14-9-24(8-7-16(14)26-22-18)19(25)15-10-23(3)11-20-15/h4-6,10-11H,7-9H2,1-3H3,(H,21,22)
InChIKeyCIFADZWUQDZBTN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.97
Rot. Bonds3

About [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone

[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 92561302) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID92561302
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1cccc(C)c1Nc1noc2c1CN(C(=O)c1cn(C)cn1)CC2
InChIInChI=1S/C19H21N5O2/c1-12-5-4-6-13(2)17(12)21-18-14-9-24(8-7-16(14)26-22-18)19(25)15-10-23(3)11-20-15/h4-6,10-11H,7-9H2,1-3H3,(H,21,22)
InChIKeyCIFADZWUQDZBTN-UHFFFAOYSA-N
XLogP2.97
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone with MolForge

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Related Compounds

(7S)-7-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-1,3-diazepane-2,4-dione
CID 92561265
[3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone
CID 92561249
(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
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
2-methoxy-1-[3-[3-(trifluoromethyl)anilino]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 92610851
[4-(2,6-dichlorophenyl)piperazin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 122143394
1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 92581530
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109371723
[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132764680
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
5-(4-bromo-3-methylbenzoyl)-N-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 11951010
[5-(2,6-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193827

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone (CID 92561302) is [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone is Cc1cccc(C)c1Nc1noc2c1CN(C(=O)c1cn(C)cn1)CC2.
What is the InChIKey of [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is CIFADZWUQDZBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-5-4-6-13(2)17(12)21-18-14-9-24(8-7-16(14)26-22-18)19(25)15-10-23(3)11-20-15/h4-6,10-11H,7-9H2,1-3H3,(H,21,22).
What are the key properties of [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone?
[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 92561302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).