[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C22H21N5O5 — CID 6734916

IUPAC[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(-c2onc(C)c2COC(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)no1
InChIInChI=1S/C22H21N5O5/c1-13-11-18(25-31-13)20-16(14(2)24-32-20)12-30-22(29)26-9-7-15(8-10-26)27-19-6-4-3-5-17(19)23-21(27)28/h3-7,11H,8-10,12H2,1-2H3,(H,23,28)
InChIKeyBNZZGHJOJXKUQT-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.47
Rot. Bonds4

About [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 6734916) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID6734916
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC Name[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(-c2onc(C)c2COC(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)no1
InChIInChI=1S/C22H21N5O5/c1-13-11-18(25-31-13)20-16(14(2)24-32-20)12-30-22(29)26-9-7-15(8-10-26)27-19-6-4-3-5-17(19)23-21(27)28/h3-7,11H,8-10,12H2,1-2H3,(H,23,28)
InChIKeyBNZZGHJOJXKUQT-UHFFFAOYSA-N
XLogP3.47
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 6734916) is [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cc(-c2onc(C)c2COC(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)no1.
What is the InChIKey of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is BNZZGHJOJXKUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-13-11-18(25-31-13)20-16(14(2)24-32-20)12-30-22(29)26-9-7-15(8-10-26)27-19-6-4-3-5-17(19)23-21(27)28/h3-7,11H,8-10,12H2,1-2H3,(H,23,28).
What are the key properties of [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 435.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl 4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 6734916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).