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

C23H20N2O2 — CID 121255770

IUPAC4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline
SMILESc1ccc(COc2ccccc2CNc2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C23H20N2O2/c1-2-6-18(7-3-1)16-26-22-9-5-4-8-20(22)14-25-21-12-10-19(11-13-21)23-15-24-17-27-23/h1-13,15,17,25H,14,16H2
InChIKeyXZBQBMAMMHWJQU-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.53
Rot. Bonds7

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

4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline (PubChem CID 121255770) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline
PubChem CID121255770
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline
SMILESc1ccc(COc2ccccc2CNc2ccc(-c3cnco3)cc2)cc1
InChIInChI=1S/C23H20N2O2/c1-2-6-18(7-3-1)16-26-22-9-5-4-8-20(22)14-25-21-12-10-19(11-13-21)23-15-24-17-27-23/h1-13,15,17,25H,14,16H2
InChIKeyXZBQBMAMMHWJQU-UHFFFAOYSA-N
XLogP5.53
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-methoxy-5-(1,3-oxazol-5-yl)phenyl]methyl]aniline
CID 173348993
4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060081
N-[(2,6-dichlorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942944
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401
4-[[2-(anilinomethyl)phenoxy]methyl]benzoic acid
CID 126125704
3-(2-ethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87008242
N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943832
N-[(2-pentoxyphenyl)methyl]-4-phenylmethoxyaniline
CID 54799405
N-[(4-chloro-2-methylphenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 104854359
N-[[2-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126118215
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 62346531
3-[[3-(1,3-oxazol-5-yl)anilino]methyl]benzene-1,2-diol
CID 61319717

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline (CID 121255770) is 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline is c1ccc(COc2ccccc2CNc2ccc(-c3cnco3)cc2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline?
The InChIKey is XZBQBMAMMHWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-6-18(7-3-1)16-26-22-9-5-4-8-20(22)14-25-21-12-10-19(11-13-21)23-15-24-17-27-23/h1-13,15,17,25H,14,16H2.
What are the key properties of 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline?
4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline has a molecular weight of 356.43 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]aniline is sourced from PubChem (CID 121255770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).