3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole

C11H14N2O — CID 141296961

IUPAC3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1Cn1cccc1C
InChIInChI=1S/C11H14N2O/c1-8-5-4-6-13(8)7-11-9(2)12-14-10(11)3/h4-6H,7H2,1-3H3
InChIKeyBNPMJQROZSTCSI-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.45
Rot. Bonds2

About 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole

3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole (PubChem CID 141296961) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole
PubChem CID141296961
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole
SMILESCc1noc(C)c1Cn1cccc1C
InChIInChI=1S/C11H14N2O/c1-8-5-4-6-13(8)7-11-9(2)12-14-10(11)3/h4-6H,7H2,1-3H3
InChIKeyBNPMJQROZSTCSI-UHFFFAOYSA-N
XLogP2.45
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole (CID 141296961) is 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole is Cc1noc(C)c1Cn1cccc1C.
What is the InChIKey of 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole?
The InChIKey is BNPMJQROZSTCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-5-4-6-13(8)7-11-9(2)12-14-10(11)3/h4-6H,7H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole?
3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole has a molecular weight of 190.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2-methylpyrrol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 141296961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).