(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate

C16H13NO3 — CID 130348153

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)C1=CC=CC1
InChIInChI=1S/C16H13NO3/c18-16(13-8-4-5-9-13)19-11-14-10-15(17-20-14)12-6-2-1-3-7-12/h1-8,10H,9,11H2
InChIKeyUFBYQLLIHYHSEX-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.27
Rot. Bonds4

About (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate

(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate (PubChem CID 130348153) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
PubChem CID130348153
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
SMILESO=C(OCc1cc(-c2ccccc2)no1)C1=CC=CC1
InChIInChI=1S/C16H13NO3/c18-16(13-8-4-5-9-13)19-11-14-10-15(17-20-14)12-6-2-1-3-7-12/h1-8,10H,9,11H2
InChIKeyUFBYQLLIHYHSEX-UHFFFAOYSA-N
XLogP3.27
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate (CID 130348153) is (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate is O=C(OCc1cc(-c2ccccc2)no1)C1=CC=CC1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate?
The InChIKey is UFBYQLLIHYHSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-16(13-8-4-5-9-13)19-11-14-10-15(17-20-14)12-6-2-1-3-7-12/h1-8,10H,9,11H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate?
(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 130348153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).