2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole

C15H15ClN2O — CID 3236444

IUPAC2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2cccn2Cc2ccccc2Cl)=N1
InChIInChI=1S/C15H15ClN2O/c1-11-10-19-15(17-11)14-7-4-8-18(14)9-12-5-2-3-6-13(12)16/h2-8,11H,9-10H2,1H3
InChIKeyAHHHMMOYBXAEJD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.36
Rot. Bonds3

About 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole

2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 3236444) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID3236444
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2cccn2Cc2ccccc2Cl)=N1
InChIInChI=1S/C15H15ClN2O/c1-11-10-19-15(17-11)14-7-4-8-18(14)9-12-5-2-3-6-13(12)16/h2-8,11H,9-10H2,1H3
InChIKeyAHHHMMOYBXAEJD-UHFFFAOYSA-N
XLogP3.36
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole (CID 3236444) is 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole is CC1COC(c2cccn2Cc2ccccc2Cl)=N1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is AHHHMMOYBXAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-10-19-15(17-11)14-7-4-8-18(14)9-12-5-2-3-6-13(12)16/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole?
2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 274.75 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3236444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).