3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide

C18H20ClFN2O2 — CID 2506677

IUPAC3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H20ClFN2O2/c1-11-15(18(23)21-12-7-4-2-3-5-8-12)17(22-24-11)16-13(19)9-6-10-14(16)20/h6,9-10,12H,2-5,7-8H2,1H3,(H,21,23)
InChIKeyQZXDHJACNLQLHV-UHFFFAOYSA-N
MW350.82 g/mol
LogP4.90
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2506677) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2506677
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H20ClFN2O2/c1-11-15(18(23)21-12-7-4-2-3-5-8-12)17(22-24-11)16-13(19)9-6-10-14(16)20/h6,9-10,12H,2-5,7-8H2,1H3,(H,21,23)
InChIKeyQZXDHJACNLQLHV-UHFFFAOYSA-N
XLogP4.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide (CID 2506677) is 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCCCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QZXDHJACNLQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-11-15(18(23)21-12-7-4-2-3-5-8-12)17(22-24-11)16-13(19)9-6-10-14(16)20/h6,9-10,12H,2-5,7-8H2,1H3,(H,21,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 350.82 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2506677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).