cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate

C14H13NO3 — CID 71452942

IUPACcyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate
SMILESO=C(OCC1CC1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C14H13NO3/c16-14(18-8-10-6-7-10)12-9-17-13(15-12)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKeyKDHAUJAYMVJPTA-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.91
Rot. Bonds4

About cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate

cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 71452942) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID71452942
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namecyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate
SMILESO=C(OCC1CC1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C14H13NO3/c16-14(18-8-10-6-7-10)12-9-17-13(15-12)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKeyKDHAUJAYMVJPTA-UHFFFAOYSA-N
XLogP2.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate (CID 71452942) is cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate is O=C(OCC1CC1)c1coc(-c2ccccc2)n1.
What is the InChIKey of cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is KDHAUJAYMVJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(18-8-10-6-7-10)12-9-17-13(15-12)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2.
What are the key properties of cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate?
cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71452942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).