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

C20H19ClN2O3 — CID 19444042

IUPAC4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCCc2ccccc2)c1COc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-14-18(13-25-17-9-5-8-16(21)12-17)19(23-26-14)20(24)22-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyRBABIGSSQZKPNU-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.19
Rot. Bonds7

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

4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 19444042) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID19444042
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NCCc2ccccc2)c1COc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-14-18(13-25-17-9-5-8-16(21)12-17)19(23-26-14)20(24)22-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyRBABIGSSQZKPNU-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443900
N-(3-chloro-2-methylphenyl)-4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443894
4-[(3-chlorophenoxy)methyl]-N-(2,3-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443980
4-[(3-chlorophenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444167
4-[(3-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443960
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
CID 19443999
4-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443972
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 19442052
4-[(3-chlorophenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444180
N-[1-(1-adamantyl)propyl]-4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444002
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (CID 19444042) is 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NCCc2ccccc2)c1COc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RBABIGSSQZKPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-14-18(13-25-17-9-5-8-16(21)12-17)19(23-26-14)20(24)22-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,22,24).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).