2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate

C19H17NO4 — CID 141273478

IUPAC2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate
SMILESO=COCCc1cc(-c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C19H17NO4/c21-14-22-11-10-18-12-19(20-24-18)16-6-8-17(9-7-16)23-13-15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2
InChIKeyBNRWFRYGZPVHKH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.64
Rot. Bonds8

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

2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate (PubChem CID 141273478) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate.

Molecular Properties

Compound Name2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate
PubChem CID141273478
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate
SMILESO=COCCc1cc(-c2ccc(OCc3ccccc3)cc2)no1
InChIInChI=1S/C19H17NO4/c21-14-22-11-10-18-12-19(20-24-18)16-6-8-17(9-7-16)23-13-15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2
InChIKeyBNRWFRYGZPVHKH-UHFFFAOYSA-N
XLogP3.64
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-(4-phenylmethoxyphenyl)pentyl formate
CID 87852449
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762879
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
N-methyl-N-[[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 142679984
3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
CID 90202589
[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol
CID 2748900
5-(chloromethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole
CID 57498300
2-methyl-2-[4-[3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propoxy]phenoxy]butanal
CID 89295587
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892622

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate?
The IUPAC name of 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate (CID 141273478) is 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate.
What is the SMILES notation for 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate?
The canonical SMILES for 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate is O=COCCc1cc(-c2ccc(OCc3ccccc3)cc2)no1.
What is the InChIKey of 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate?
The InChIKey is BNRWFRYGZPVHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-14-22-11-10-18-12-19(20-24-18)16-6-8-17(9-7-16)23-13-15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2.
What are the key properties of 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate?
2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate has a molecular weight of 323.35 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate is sourced from PubChem (CID 141273478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).