benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate

C20H19NO4 — CID 46201111

IUPACbenzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCC(C)Oc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1
InChIInChI=1S/C20H19NO4/c1-14(2)25-17-10-8-16(9-11-17)19-21-18(13-23-19)20(22)24-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3
InChIKeyBNVJFBAPKOPNPL-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.49
Rot. Bonds6

About benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate

benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 46201111) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID46201111
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namebenzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCC(C)Oc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1
InChIInChI=1S/C20H19NO4/c1-14(2)25-17-10-8-16(9-11-17)19-21-18(13-23-19)20(22)24-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3
InChIKeyBNVJFBAPKOPNPL-UHFFFAOYSA-N
XLogP4.49
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate (CID 46201111) is benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate is CC(C)Oc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1.
What is the InChIKey of benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is BNVJFBAPKOPNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14(2)25-17-10-8-16(9-11-17)19-21-18(13-23-19)20(22)24-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3.
What are the key properties of benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).