4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid

C24H19ClN2O5 — CID 123255919

IUPAC4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESNc1c(C(=O)O)noc1-c1cc(Cl)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C24H19ClN2O5/c25-18-11-17(23-21(26)22(24(28)29)27-32-23)19(30-13-15-7-3-1-4-8-15)12-20(18)31-14-16-9-5-2-6-10-16/h1-12H,13-14,26H2,(H,28,29)
InChIKeyPSNXSTFKSQCZID-UHFFFAOYSA-N
MW450.88 g/mol
LogP5.43
Rot. Bonds8

About 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid

4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 123255919) has the molecular formula C24H19ClN2O5 and a molecular weight of 450.88 g/mol. Its IUPAC name is 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID123255919
Molecular FormulaC24H19ClN2O5
Molecular Weight450.88 g/mol
Exact Mass450.10
IUPAC Name4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESNc1c(C(=O)O)noc1-c1cc(Cl)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C24H19ClN2O5/c25-18-11-17(23-21(26)22(24(28)29)27-32-23)19(30-13-15-7-3-1-4-8-15)12-20(18)31-14-16-9-5-2-6-10-16/h1-12H,13-14,26H2,(H,28,29)
InChIKeyPSNXSTFKSQCZID-UHFFFAOYSA-N
XLogP5.43
TPSA107.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-iodo-1,2-oxazole-3-carboxylic acid
CID 142773781
4-amino-5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylic acid
CID 123210670
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
1-[5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1H-pyrazol-4-yl]ethanone
CID 58879171
4-ethyl-5-[5-(4-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 91025622
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 123307499
2-[4-[5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1H-pyrazol-4-yl]piperazin-1-yl]acetic acid
CID 90823093
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-3-methyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole
CID 145125242
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774044
3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (CID 123255919) is 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is Nc1c(C(=O)O)noc1-c1cc(Cl)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is PSNXSTFKSQCZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5/c25-18-11-17(23-21(26)22(24(28)29)27-32-23)19(30-13-15-7-3-1-4-8-15)12-20(18)31-14-16-9-5-2-6-10-16/h1-12H,13-14,26H2,(H,28,29).
What are the key properties of 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 450.88 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 123255919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).