3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide

C20H19ClN2O3 — CID 42211327

IUPAC3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(Cc2ccccc2Cl)no1
InChIInChI=1S/C20H19ClN2O3/c1-25-18-9-5-3-6-14(18)10-11-22-20(24)19-13-16(23-26-19)12-15-7-2-4-8-17(15)21/h2-9,13H,10-12H2,1H3,(H,22,24)
InChIKeyBMERZHAJUOSXFI-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.90
Rot. Bonds7

About 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide

3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 42211327) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID42211327
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(Cc2ccccc2Cl)no1
InChIInChI=1S/C20H19ClN2O3/c1-25-18-9-5-3-6-14(18)10-11-22-20(24)19-13-16(23-26-19)12-15-7-2-4-8-17(15)21/h2-9,13H,10-12H2,1H3,(H,22,24)
InChIKeyBMERZHAJUOSXFI-UHFFFAOYSA-N
XLogP3.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide (CID 42211327) is 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide is COc1ccccc1CCNC(=O)c1cc(Cc2ccccc2Cl)no1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BMERZHAJUOSXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-25-18-9-5-3-6-14(18)10-11-22-20(24)19-13-16(23-26-19)12-15-7-2-4-8-17(15)21/h2-9,13H,10-12H2,1H3,(H,22,24).
What are the key properties of 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide?
3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42211327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).