4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole

C11H14N2O — CID 174949506

IUPAC4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole
SMILESCCCc1ccn(Cc2cnoc2)c1
InChIInChI=1S/C11H14N2O/c1-2-3-10-4-5-13(7-10)8-11-6-12-14-9-11/h4-7,9H,2-3,8H2,1H3
InChIKeySATUJVRZVJSBRJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.48
Rot. Bonds4

About 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole

4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole (PubChem CID 174949506) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole
PubChem CID174949506
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole
SMILESCCCc1ccn(Cc2cnoc2)c1
InChIInChI=1S/C11H14N2O/c1-2-3-10-4-5-13(7-10)8-11-6-12-14-9-11/h4-7,9H,2-3,8H2,1H3
InChIKeySATUJVRZVJSBRJ-UHFFFAOYSA-N
XLogP2.48
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole (CID 174949506) is 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole is CCCc1ccn(Cc2cnoc2)c1.
What is the InChIKey of 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole?
The InChIKey is SATUJVRZVJSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-3-10-4-5-13(7-10)8-11-6-12-14-9-11/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole?
4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole has a molecular weight of 190.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propylpyrrol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 174949506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).