1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate

C19H21NO4 — CID 71861106

IUPAC1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCC(OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C1CCOC1
InChIInChI=1S/C19H21NO4/c1-12(15-9-10-22-11-15)23-19(21)16-17(13-7-8-13)24-18(20-16)14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3
InChIKeyKTYIOTRWDSXYRC-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.80
Rot. Bonds5

About 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate

1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 71861106) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID71861106
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCC(OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C1CCOC1
InChIInChI=1S/C19H21NO4/c1-12(15-9-10-22-11-15)23-19(21)16-17(13-7-8-13)24-18(20-16)14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3
InChIKeyKTYIOTRWDSXYRC-UHFFFAOYSA-N
XLogP3.80
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 71861106) is 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate is CC(OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is KTYIOTRWDSXYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(15-9-10-22-11-15)23-19(21)16-17(13-7-8-13)24-18(20-16)14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3.
What are the key properties of 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate?
1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)ethyl 5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71861106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).