tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate

C26H30N4O4 — CID 121384123

IUPACtert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate
SMILESCCOc1nc2c(NC(=O)OC(C)(C)C)cc(-c3c(C)noc3C)cc2n1Cc1ccccc1
InChIInChI=1S/C26H30N4O4/c1-7-32-24-28-23-20(27-25(31)33-26(4,5)6)13-19(22-16(2)29-34-17(22)3)14-21(23)30(24)15-18-11-9-8-10-12-18/h8-14H,7,15H2,1-6H3,(H,27,31)
InChIKeyZPLBADUZWCBOAR-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.10
Rot. Bonds6

About tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate

tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate (PubChem CID 121384123) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate
PubChem CID121384123
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Nametert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate
SMILESCCOc1nc2c(NC(=O)OC(C)(C)C)cc(-c3c(C)noc3C)cc2n1Cc1ccccc1
InChIInChI=1S/C26H30N4O4/c1-7-32-24-28-23-20(27-25(31)33-26(4,5)6)13-19(22-16(2)29-34-17(22)3)14-21(23)30(24)15-18-11-9-8-10-12-18/h8-14H,7,15H2,1-6H3,(H,27,31)
InChIKeyZPLBADUZWCBOAR-UHFFFAOYSA-N
XLogP6.10
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate with MolForge

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Related Compounds

4-(1-benzyl-2-ethoxyimidazo[4,5-c]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 152547567
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
3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
CID 121375958
tert-butyl 2-[2-[2-[2-[9-benzyl-5-carbamoyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-3-yl]oxyethoxy]ethoxy]ethoxy]acetate;ethane
CID 145261856
1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
CID 87057244
1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 121375835
9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(methylamino)carbazole-4-carboxamide
CID 90375709
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide
CID 159553569
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
tert-butyl 2-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 146588960
methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
CID 121418858

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate (CID 121384123) is tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate is CCOc1nc2c(NC(=O)OC(C)(C)C)cc(-c3c(C)noc3C)cc2n1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate?
The InChIKey is ZPLBADUZWCBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-7-32-24-28-23-20(27-25(31)33-26(4,5)6)13-19(22-16(2)29-34-17(22)3)14-21(23)30(24)15-18-11-9-8-10-12-18/h8-14H,7,15H2,1-6H3,(H,27,31).
What are the key properties of tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate?
tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-yl]carbamate is sourced from PubChem (CID 121384123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).