4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole

C20H20N4O2 — CID 152547567

IUPAC4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCOc1nc2cnc(-c3c(C)noc3C)cc2n1Cc1ccccc1
InChIInChI=1S/C20H20N4O2/c1-4-25-20-22-17-11-21-16(19-13(2)23-26-14(19)3)10-18(17)24(20)12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3
InChIKeyYMUNFYFFKQZAJR-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.15
Rot. Bonds5

About 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole

4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 152547567) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID152547567
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCOc1nc2cnc(-c3c(C)noc3C)cc2n1Cc1ccccc1
InChIInChI=1S/C20H20N4O2/c1-4-25-20-22-17-11-21-16(19-13(2)23-26-14(19)3)10-18(17)24(20)12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3
InChIKeyYMUNFYFFKQZAJR-UHFFFAOYSA-N
XLogP4.15
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine
CID 150175991
tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate
CID 121384123
1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
CID 87057244
4-(1-benzylpyrazolo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 121375892
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
CID 121375958
1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 121375835
1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol
CID 121375953
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 121375942
4-(1-benzyl-3-isocyanopyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 140721848
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
4-(1-benzyltriazolo[4,5-c]quinolin-7-yl)-3,5-dimethyl-1,2-oxazole
CID 70664302

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole (CID 152547567) is 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole is CCOc1nc2cnc(-c3c(C)noc3C)cc2n1Cc1ccccc1.
What is the InChIKey of 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is YMUNFYFFKQZAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-4-25-20-22-17-11-21-16(19-13(2)23-26-14(19)3)10-18(17)24(20)12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole?
4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 348.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 152547567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).