1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone

C20H23N5O2 — CID 92581530

IUPAC1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCC(C)c1nccn1CC(=O)N1CCc2onc(Nc3ccccc3)c2C1
InChIInChI=1S/C20H23N5O2/c1-14(2)20-21-9-11-25(20)13-18(26)24-10-8-17-16(12-24)19(23-27-17)22-15-6-4-3-5-7-15/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,22,23)
InChIKeyVWSANVSHHMQSFV-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.32
Rot. Bonds5

About 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone

1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone (PubChem CID 92581530) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
PubChem CID92581530
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
SMILESCC(C)c1nccn1CC(=O)N1CCc2onc(Nc3ccccc3)c2C1
InChIInChI=1S/C20H23N5O2/c1-14(2)20-21-9-11-25(20)13-18(26)24-10-8-17-16(12-24)19(23-27-17)22-15-6-4-3-5-7-15/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,22,23)
InChIKeyVWSANVSHHMQSFV-UHFFFAOYSA-N
XLogP3.32
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone with MolForge

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Related Compounds

1-[(3R)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 92581522
2-methoxy-1-[3-[3-(trifluoromethyl)anilino]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 92610851
4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999561
1-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylethanone
CID 29209508
2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide
CID 167811976
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
CID 142479688
[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-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one
CID 92589175
(2R)-2-hydroxy-1-(3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 95212543
2-[(2S)-4-[2-(2-propan-2-ylimidazol-1-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638963
(2R)-N-methyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95394249
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 56757044

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The IUPAC name of 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) is 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone is CC(C)c1nccn1CC(=O)N1CCc2onc(Nc3ccccc3)c2C1.
What is the InChIKey of 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
The InChIKey is VWSANVSHHMQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(2)20-21-9-11-25(20)13-18(26)24-10-8-17-16(12-24)19(23-27-17)22-15-6-4-3-5-7-15/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone?
1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone has a molecular weight of 365.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilino-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)ethanone is sourced from PubChem (CID 92581530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).