1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one

C19H17N3O3 — CID 18290993

IUPAC1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one
SMILESCOc1ccc(-c2nc(Cn3c(=O)n(C)c4ccccc43)co2)cc1
InChIInChI=1S/C19H17N3O3/c1-21-16-5-3-4-6-17(16)22(19(21)23)11-14-12-25-18(20-14)13-7-9-15(24-2)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyZTMFIFSICOJVHK-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.05
Rot. Bonds4

About 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one

1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one (PubChem CID 18290993) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one
PubChem CID18290993
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one
SMILESCOc1ccc(-c2nc(Cn3c(=O)n(C)c4ccccc43)co2)cc1
InChIInChI=1S/C19H17N3O3/c1-21-16-5-3-4-6-17(16)22(19(21)23)11-14-12-25-18(20-14)13-7-9-15(24-2)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyZTMFIFSICOJVHK-UHFFFAOYSA-N
XLogP3.05
TPSA62.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one (CID 18290993) is 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one is COc1ccc(-c2nc(Cn3c(=O)n(C)c4ccccc43)co2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one?
The InChIKey is ZTMFIFSICOJVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-16-5-3-4-6-17(16)22(19(21)23)11-14-12-25-18(20-14)13-7-9-15(24-2)10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one?
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 18290993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).