1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one

C14H15N3O3 — CID 138033631

IUPAC1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one
SMILESCc1nocc1COc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H15N3O3/c1-9-10(8-20-15-9)7-19-11-4-5-12-13(6-11)17(3)14(18)16(12)2/h4-6,8H,7H2,1-3H3
InChIKeyNZQWOGBDNABLGA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.75
Rot. Bonds3

About 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one

1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one (PubChem CID 138033631) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one
PubChem CID138033631
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one
SMILESCc1nocc1COc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H15N3O3/c1-9-10(8-20-15-9)7-19-11-4-5-12-13(6-11)17(3)14(18)16(12)2/h4-6,8H,7H2,1-3H3
InChIKeyNZQWOGBDNABLGA-UHFFFAOYSA-N
XLogP1.75
TPSA62.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one (CID 138033631) is 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one is Cc1nocc1COc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one?
The InChIKey is NZQWOGBDNABLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-10(8-20-15-9)7-19-11-4-5-12-13(6-11)17(3)14(18)16(12)2/h4-6,8H,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one?
1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one has a molecular weight of 273.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(3-methyl-1,2-oxazol-4-yl)methoxy]benzimidazol-2-one is sourced from PubChem (CID 138033631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).