N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide

C18H18N6O3 — CID 155083567

IUPACN-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)nc(Nc1nc3cccnc3o1)n2C
InChIInChI=1S/C18H18N6O3/c1-24-14-6-5-11(15(25)19-8-9-26-2)10-13(14)21-17(24)23-18-22-12-4-3-7-20-16(12)27-18/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,21,22,23)
InChIKeyOSMARDMHMRLDLU-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.23
Rot. Bonds6

About N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide

N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide (PubChem CID 155083567) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide
PubChem CID155083567
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)nc(Nc1nc3cccnc3o1)n2C
InChIInChI=1S/C18H18N6O3/c1-24-14-6-5-11(15(25)19-8-9-26-2)10-13(14)21-17(24)23-18-22-12-4-3-7-20-16(12)27-18/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,21,22,23)
InChIKeyOSMARDMHMRLDLU-UHFFFAOYSA-N
XLogP2.23
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzoxazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 155083774
2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 155083824
2-[(6-acetyl-1,3-benzoxazol-2-yl)amino]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylbenzimidazole-5-carboxamide
CID 155607715
2-(1,3-benzoxazol-2-ylamino)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 155083668
2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide
CID 155083808
2-[2-[[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carbonyl]amino]ethoxy]ethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 155093886
ethyl 2-[2-[[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carbonyl]amino]ethoxy]acetate
CID 155083820
N-(2-methoxyethyl)-1-methyl-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]benzimidazole-5-carboxamide
CID 86656831
1-methyl-N-(2-methylsulfonylethyl)-2-[[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
CID 155083834
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-[2-(2-methoxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 87360622
N-[4-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-4-oxobutyl]propanamide
CID 162033380
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide (CID 155083567) is N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide is COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3cccnc3o1)n2C.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide?
The InChIKey is OSMARDMHMRLDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-24-14-6-5-11(15(25)19-8-9-26-2)10-13(14)21-17(24)23-18-22-12-4-3-7-20-16(12)27-18/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,21,22,23).
What are the key properties of N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide?
N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 155083567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).