3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine

C23H20N2O3 — CID 3332846

IUPAC3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)no1
InChIInChI=1S/C23H20N2O3/c24-23-14-21(25-28-23)20-12-11-19(26-15-17-7-3-1-4-8-17)13-22(20)27-16-18-9-5-2-6-10-18/h1-14H,15-16,24H2
InChIKeyLVBCCVYQLNORKG-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.08
Rot. Bonds7

About 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine

3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 3332846) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
PubChem CID3332846
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)no1
InChIInChI=1S/C23H20N2O3/c24-23-14-21(25-28-23)20-12-11-19(26-15-17-7-3-1-4-8-17)13-22(20)27-16-18-9-5-2-6-10-18/h1-14H,15-16,24H2
InChIKeyLVBCCVYQLNORKG-UHFFFAOYSA-N
XLogP5.08
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
CID 22010194
3-(2,5-diethoxy-4-phenylphenyl)-1,2-oxazol-5-amine
CID 3717112
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
CID 5128355
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
3-(3-nitro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3806355
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-[2,4-bis(phenylmethoxy)phenyl]-5,8-bis(phenylmethoxy)thiochromen-4-one
CID 10818127
2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
CID 141293707

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine (CID 3332846) is 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)no1.
What is the InChIKey of 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is LVBCCVYQLNORKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c24-23-14-21(25-28-23)20-12-11-19(26-15-17-7-3-1-4-8-17)13-22(20)27-16-18-9-5-2-6-10-18/h1-14H,15-16,24H2.
What are the key properties of 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine?
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 372.42 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 3332846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).