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

C19H21N5O2 — CID 92561249

IUPAC[3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone
SMILESCc1cccc(Nc2noc3c2CN(C(=O)c2nccn2C)CC3)c1C
InChIInChI=1S/C19H21N5O2/c1-12-5-4-6-15(13(12)2)21-17-14-11-24(9-7-16(14)26-22-17)19(25)18-20-8-10-23(18)3/h4-6,8,10H,7,9,11H2,1-3H3,(H,21,22)
InChIKeyICDXOBJPWKAAHH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.97
Rot. Bonds3

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

[3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 92561249) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID92561249
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone
SMILESCc1cccc(Nc2noc3c2CN(C(=O)c2nccn2C)CC3)c1C
InChIInChI=1S/C19H21N5O2/c1-12-5-4-6-15(13(12)2)21-17-14-11-24(9-7-16(14)26-22-17)19(25)18-20-8-10-23(18)3/h4-6,8,10H,7,9,11H2,1-3H3,(H,21,22)
InChIKeyICDXOBJPWKAAHH-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-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone
CID 92561302
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
(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
(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-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one
CID 92589175
[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-methoxycyclohexyl)methanone
CID 98135079
5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136735074
(1-methylimidazol-2-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99945320
N-(2,3-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474610
2-methoxy-1-[3-[3-(trifluoromethyl)anilino]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 92610851
(5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405922
2-(2,3-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167959

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone (CID 92561249) is [3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone is Cc1cccc(Nc2noc3c2CN(C(=O)c2nccn2C)CC3)c1C.
What is the InChIKey of [3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is ICDXOBJPWKAAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-5-4-6-15(13(12)2)21-17-14-11-24(9-7-16(14)26-22-17)19(25)18-20-8-10-23(18)3/h4-6,8,10H,7,9,11H2,1-3H3,(H,21,22).
What are the key properties of [3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone?
[3-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-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-(2,3-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 92561249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).