N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

C15H14ClFN2O3 — CID 84595648

IUPACN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCOC2c2ccc(Cl)c(F)c2)on1
InChIInChI=1S/C15H14ClFN2O3/c1-8-6-13(22-19-8)15(20)18-12-4-5-21-14(12)9-2-3-10(16)11(17)7-9/h2-3,6-7,12,14H,4-5H2,1H3,(H,18,20)
InChIKeyQTNVFZSDNRNXKL-UHFFFAOYSA-N
MW324.74 g/mol
LogP3.04
Rot. Bonds3

About N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 84595648) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID84595648
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCOC2c2ccc(Cl)c(F)c2)on1
InChIInChI=1S/C15H14ClFN2O3/c1-8-6-13(22-19-8)15(20)18-12-4-5-21-14(12)9-2-3-10(16)11(17)7-9/h2-3,6-7,12,14H,4-5H2,1H3,(H,18,20)
InChIKeyQTNVFZSDNRNXKL-UHFFFAOYSA-N
XLogP3.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 84595648) is N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCOC2c2ccc(Cl)c(F)c2)on1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QTNVFZSDNRNXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c1-8-6-13(22-19-8)15(20)18-12-4-5-21-14(12)9-2-3-10(16)11(17)7-9/h2-3,6-7,12,14H,4-5H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 324.74 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 84595648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).