N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline

C19H19ClN2O — CID 141128904

IUPACN-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
SMILESCCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccccc1
InChIInChI=1S/C19H19ClN2O/c1-3-22(17-10-5-4-6-11-17)13-18-14(2)23-19(21-18)15-8-7-9-16(20)12-15/h4-12H,3,13H2,1-2H3
InChIKeyCNVQIQYEIUCPOM-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.33
Rot. Bonds5

About N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline

N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline (PubChem CID 141128904) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
PubChem CID141128904
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
SMILESCCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccccc1
InChIInChI=1S/C19H19ClN2O/c1-3-22(17-10-5-4-6-11-17)13-18-14(2)23-19(21-18)15-8-7-9-16(20)12-15/h4-12H,3,13H2,1-2H3
InChIKeyCNVQIQYEIUCPOM-UHFFFAOYSA-N
XLogP5.33
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 141128901
2-[3-chloro-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-ethylamino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11713433
1-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56745997
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
CID 141137433
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
2-(3-chlorophenyl)-5-methyl-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56759177
4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 97313225
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 91911995
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline
CID 62891798
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110632940
5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 50838067

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline?
The IUPAC name of N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline (CID 141128904) is N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline?
The canonical SMILES for N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline is CCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccccc1.
What is the InChIKey of N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline?
The InChIKey is CNVQIQYEIUCPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-3-22(17-10-5-4-6-11-17)13-18-14(2)23-19(21-18)15-8-7-9-16(20)12-15/h4-12H,3,13H2,1-2H3.
What are the key properties of N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline?
N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline has a molecular weight of 326.83 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline is sourced from PubChem (CID 141128904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).