[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate

C18H17NO3 — CID 130347864

IUPAC[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate
SMILESCCc1ccc(-c2cc(COC(=O)C3C=CC=C3)on2)cc1
InChIInChI=1S/C18H17NO3/c1-2-13-7-9-14(10-8-13)17-11-16(22-19-17)12-21-18(20)15-5-3-4-6-15/h3-11,15H,2,12H2,1H3
InChIKeyMYVAJVFRWPBPTL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.69
Rot. Bonds5

About [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate

[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate (PubChem CID 130347864) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate
PubChem CID130347864
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate
SMILESCCc1ccc(-c2cc(COC(=O)C3C=CC=C3)on2)cc1
InChIInChI=1S/C18H17NO3/c1-2-13-7-9-14(10-8-13)17-11-16(22-19-17)12-21-18(20)15-5-3-4-6-15/h3-11,15H,2,12H2,1H3
InChIKeyMYVAJVFRWPBPTL-UHFFFAOYSA-N
XLogP3.69
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate
CID 130348083
[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
CID 138465283
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16580445
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-nitrofuran-2-carboxylate
CID 16961243
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892869
4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
CID 137045534
(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
CID 130348153
[3-[4-[(5-chlorothiophen-2-yl)methyl]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 90384001
N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
CID 130347878

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate?
The IUPAC name of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate (CID 130347864) is [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate.
What is the SMILES notation for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate?
The canonical SMILES for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate is CCc1ccc(-c2cc(COC(=O)C3C=CC=C3)on2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate?
The InChIKey is MYVAJVFRWPBPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-13-7-9-14(10-8-13)17-11-16(22-19-17)12-21-18(20)15-5-3-4-6-15/h3-11,15H,2,12H2,1H3.
What are the key properties of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate?
[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate is sourced from PubChem (CID 130347864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).