N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H23N5O3 — CID 124789083

IUPACN-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCn1c([C@@H](C)NC(=O)c2cc(C)nc3onc(C)c23)nc2ccccc21
InChIInChI=1S/C21H23N5O3/c1-12-11-15(18-13(2)25-29-21(18)22-12)20(27)23-14(3)19-24-16-7-5-6-8-17(16)26(19)9-10-28-4/h5-8,11,14H,9-10H2,1-4H3,(H,23,27)/t14-/m1/s1
InChIKeyCCGAFMUFMLYALG-CQSZACIVSA-N
MW393.45 g/mol
LogP3.33
Rot. Bonds6

About N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 124789083) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID124789083
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCn1c([C@@H](C)NC(=O)c2cc(C)nc3onc(C)c23)nc2ccccc21
InChIInChI=1S/C21H23N5O3/c1-12-11-15(18-13(2)25-29-21(18)22-12)20(27)23-14(3)19-24-16-7-5-6-8-17(16)26(19)9-10-28-4/h5-8,11,14H,9-10H2,1-4H3,(H,23,27)/t14-/m1/s1
InChIKeyCCGAFMUFMLYALG-CQSZACIVSA-N
XLogP3.33
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 91821556
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124850734
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91823687
2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972157
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967510
2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967678
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91639146
5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide
CID 91640650
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821707

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 124789083) is N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCCn1c([C@@H](C)NC(=O)c2cc(C)nc3onc(C)c23)nc2ccccc21.
What is the InChIKey of N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CCGAFMUFMLYALG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-11-15(18-13(2)25-29-21(18)22-12)20(27)23-14(3)19-24-16-7-5-6-8-17(16)26(19)9-10-28-4/h5-8,11,14H,9-10H2,1-4H3,(H,23,27)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 124789083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).