N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide

C19H17N5O2 — CID 71984376

IUPACN-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(-c2ccccn2)no1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-2-12(18-21-14-8-3-4-9-15(14)22-18)23-19(25)17-11-16(24-26-17)13-7-5-6-10-20-13/h3-12H,2H2,1H3,(H,21,22)(H,23,25)
InChIKeyJNYTVPHTHMCUDT-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide

N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 71984376) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
PubChem CID71984376
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(-c2ccccn2)no1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-2-12(18-21-14-8-3-4-9-15(14)22-18)23-19(25)17-11-16(24-26-17)13-7-5-6-10-20-13/h3-12H,2H2,1H3,(H,21,22)(H,23,25)
InChIKeyJNYTVPHTHMCUDT-UHFFFAOYSA-N
XLogP3.49
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 125141542
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
(2S)-3-methyl-2-[(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119359709
N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide
CID 86938286
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 119871657
N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide
CID 95175043
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 118986188
N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4H-1,3-benzodioxine-6-carboxamide
CID 96568651
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 47012134
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-methylsulfanylpyridine-3-carboxamide
CID 27448120

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide (CID 71984376) is N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide is CCC(NC(=O)c1cc(-c2ccccn2)no1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is JNYTVPHTHMCUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-12(18-21-14-8-3-4-9-15(14)22-18)23-19(25)17-11-16(24-26-17)13-7-5-6-10-20-13/h3-12H,2H2,1H3,(H,21,22)(H,23,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide?
N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71984376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).