N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline

C26H26N2O2 — CID 141128901

IUPACN-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
SMILESCCN(Cc1nc(-c2cccc(OCc3ccccc3)c2)oc1C)c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-3-28(23-14-8-5-9-15-23)18-25-20(2)30-26(27-25)22-13-10-16-24(17-22)29-19-21-11-6-4-7-12-21/h4-17H,3,18-19H2,1-2H3
InChIKeyATDLFTFJHNLJEE-UHFFFAOYSA-N
MW398.51 g/mol
LogP6.26
Rot. Bonds8

About N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline

N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline (PubChem CID 141128901) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
PubChem CID141128901
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
SMILESCCN(Cc1nc(-c2cccc(OCc3ccccc3)c2)oc1C)c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-3-28(23-14-8-5-9-15-23)18-25-20(2)30-26(27-25)22-13-10-16-24(17-22)29-19-21-11-6-4-7-12-21/h4-17H,3,18-19H2,1-2H3
InChIKeyATDLFTFJHNLJEE-UHFFFAOYSA-N
XLogP6.26
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-ethylaniline
CID 141128904
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884245
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
CID 10569860
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
2-[(4-methylphenoxy)carbonyl-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 22087654
5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The IUPAC name of N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline (CID 141128901) is N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The canonical SMILES for N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline is CCN(Cc1nc(-c2cccc(OCc3ccccc3)c2)oc1C)c1ccccc1.
What is the InChIKey of N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The InChIKey is ATDLFTFJHNLJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-28(23-14-8-5-9-15-23)18-25-20(2)30-26(27-25)22-13-10-16-24(17-22)29-19-21-11-6-4-7-12-21/h4-17H,3,18-19H2,1-2H3.
What are the key properties of N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline?
N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline has a molecular weight of 398.51 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline is sourced from PubChem (CID 141128901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).