N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

C21H21N5O4 — CID 29182088

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3ccc4c(c3)n(C)c(=O)n4C)no2)cn1
InChIInChI=1S/C21H21N5O4/c1-13-4-6-15(11-22-13)29-12-16-9-17(24-30-16)20(27)23-10-14-5-7-18-19(8-14)26(3)21(28)25(18)2/h4-9,11H,10,12H2,1-3H3,(H,23,27)
InChIKeyLZNXBZYOSHSKNF-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.08
Rot. Bonds6

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 29182088) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID29182088
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3ccc4c(c3)n(C)c(=O)n4C)no2)cn1
InChIInChI=1S/C21H21N5O4/c1-13-4-6-15(11-22-13)29-12-16-9-17(24-30-16)20(27)23-10-14-5-7-18-19(8-14)26(3)21(28)25(18)2/h4-9,11H,10,12H2,1-3H3,(H,23,27)
InChIKeyLZNXBZYOSHSKNF-UHFFFAOYSA-N
XLogP2.08
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 29182088) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NCc3ccc4c(c3)n(C)c(=O)n4C)no2)cn1.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LZNXBZYOSHSKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-13-4-6-15(11-22-13)29-12-16-9-17(24-30-16)20(27)23-10-14-5-7-18-19(8-14)26(3)21(28)25(18)2/h4-9,11H,10,12H2,1-3H3,(H,23,27).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 29182088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).