N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide

C17H19N5O3 — CID 90045345

IUPACN-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc2cc(CO)ccc2n1CC1CCCN1)c1ccno1
InChIInChI=1S/C17H19N5O3/c23-10-11-3-4-14-13(8-11)20-17(21-16(24)15-5-7-19-25-15)22(14)9-12-2-1-6-18-12/h3-5,7-8,12,18,23H,1-2,6,9-10H2,(H,20,21,24)
InChIKeyNJIWTFAXIGIXHR-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.52
Rot. Bonds5

About N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide

N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 90045345) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID90045345
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc2cc(CO)ccc2n1CC1CCCN1)c1ccno1
InChIInChI=1S/C17H19N5O3/c23-10-11-3-4-14-13(8-11)20-17(21-16(24)15-5-7-19-25-15)22(14)9-12-2-1-6-18-12/h3-5,7-8,12,18,23H,1-2,6,9-10H2,(H,20,21,24)
InChIKeyNJIWTFAXIGIXHR-UHFFFAOYSA-N
XLogP1.52
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide (CID 90045345) is N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide is O=C(Nc1nc2cc(CO)ccc2n1CC1CCCN1)c1ccno1.
What is the InChIKey of N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is NJIWTFAXIGIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-10-11-3-4-14-13(8-11)20-17(21-16(24)15-5-7-19-25-15)22(14)9-12-2-1-6-18-12/h3-5,7-8,12,18,23H,1-2,6,9-10H2,(H,20,21,24).
What are the key properties of N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide?
N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90045345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).