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

C15H14ClFN2O — CID 3244434

IUPAC2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(c2cccn2Cc2ccc(F)cc2Cl)O1
InChIInChI=1S/C15H14ClFN2O/c1-10-8-18-15(20-10)14-3-2-6-19(14)9-11-4-5-12(17)7-13(11)16/h2-7,10H,8-9H2,1H3
InChIKeyCTPQCHNYZJFMBO-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.49
Rot. Bonds3

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

2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 3244434) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole
PubChem CID3244434
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1CN=C(c2cccn2Cc2ccc(F)cc2Cl)O1
InChIInChI=1S/C15H14ClFN2O/c1-10-8-18-15(20-10)14-3-2-6-19(14)9-11-4-5-12(17)7-13(11)16/h2-7,10H,8-9H2,1H3
InChIKeyCTPQCHNYZJFMBO-UHFFFAOYSA-N
XLogP3.49
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole (CID 3244434) is 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole is CC1CN=C(c2cccn2Cc2ccc(F)cc2Cl)O1.
What is the InChIKey of 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CTPQCHNYZJFMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10-8-18-15(20-10)14-3-2-6-19(14)9-11-4-5-12(17)7-13(11)16/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole?
2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 292.74 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3244434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).