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

C19H16ClFN2O3 — CID 19443311

IUPAC4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCc2ccc(F)cc2)c1COc1ccccc1Cl
InChIInChI=1S/C19H16ClFN2O3/c1-12-15(11-25-17-5-3-2-4-16(17)20)18(23-26-12)19(24)22-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyWLCZNKIRONHBQR-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.28
Rot. Bonds6

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

4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19443311) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19443311
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCc2ccc(F)cc2)c1COc1ccccc1Cl
InChIInChI=1S/C19H16ClFN2O3/c1-12-15(11-25-17-5-3-2-4-16(17)20)18(23-26-12)19(24)22-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyWLCZNKIRONHBQR-UHFFFAOYSA-N
XLogP4.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19443311) is 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NCc2ccc(F)cc2)c1COc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WLCZNKIRONHBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-12-15(11-25-17-5-3-2-4-16(17)20)18(23-26-12)19(24)22-10-13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).