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

C30H25ClN2O4 — CID 123307499

IUPAC3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(OCc4ccccc4)cc3OCc3ccccc3)noc2N)cc1
InChIInChI=1S/C30H25ClN2O4/c1-34-23-14-12-22(13-15-23)28-29(33-37-30(28)32)24-16-25(31)27(36-19-21-10-6-3-7-11-21)17-26(24)35-18-20-8-4-2-5-9-20/h2-17H,18-19,32H2,1H3
InChIKeyHJOXTYPRWCBXGZ-UHFFFAOYSA-N
MW512.99 g/mol
LogP7.41
Rot. Bonds9

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

3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 123307499) has the molecular formula C30H25ClN2O4 and a molecular weight of 512.99 g/mol. Its IUPAC name is 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID123307499
Molecular FormulaC30H25ClN2O4
Molecular Weight512.99 g/mol
Exact Mass512.15
IUPAC Name3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3cc(Cl)c(OCc4ccccc4)cc3OCc3ccccc3)noc2N)cc1
InChIInChI=1S/C30H25ClN2O4/c1-34-23-14-12-22(13-15-23)28-29(33-37-30(28)32)24-16-25(31)27(36-19-21-10-6-3-7-11-21)17-26(24)35-18-20-8-4-2-5-9-20/h2-17H,18-19,32H2,1H3
InChIKeyHJOXTYPRWCBXGZ-UHFFFAOYSA-N
XLogP7.41
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.99
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
CID 141355277
3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine
CID 102883442
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 123255919
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
3-(4-methoxyphenyl)-2,6-dimethyl-4-phenylmethoxypyridine
CID 15171436
3-(5-bromo-2-methylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine;ethane
CID 144602769
3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 123307499) is 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2c(-c3cc(Cl)c(OCc4ccccc4)cc3OCc3ccccc3)noc2N)cc1.
What is the InChIKey of 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is HJOXTYPRWCBXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN2O4/c1-34-23-14-12-22(13-15-23)28-29(33-37-30(28)32)24-16-25(31)27(36-19-21-10-6-3-7-11-21)17-26(24)35-18-20-8-4-2-5-9-20/h2-17H,18-19,32H2,1H3.
What are the key properties of 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 512.99 g/mol, XLogP of 7.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 123307499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).