propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate

C13H15NO3 — CID 14942570

IUPACpropan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
SMILESCC(C)OC(=O)C1CN=C(c2ccccc2)O1
InChIInChI=1S/C13H15NO3/c1-9(2)16-13(15)11-8-14-12(17-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyJIYDDYHVLRMSJK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.78
Rot. Bonds3

About propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate

propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate (PubChem CID 14942570) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
PubChem CID14942570
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namepropan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate
SMILESCC(C)OC(=O)C1CN=C(c2ccccc2)O1
InChIInChI=1S/C13H15NO3/c1-9(2)16-13(15)11-8-14-12(17-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyJIYDDYHVLRMSJK-UHFFFAOYSA-N
XLogP1.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
Mls002667700
CID 244135
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
2-Phenyl-4,5-dihydro-oxazole-4,5-dicarboxylic acid
CID 10354033
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
2-Phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester
CID 11736742
4(5H)-Oxazolone, 5,5-dimethyl-2-phenyl-
CID 709402
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
CID 589632

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The IUPAC name of propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate (CID 14942570) is propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The canonical SMILES for propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate is CC(C)OC(=O)C1CN=C(c2ccccc2)O1.
What is the InChIKey of propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
The InChIKey is JIYDDYHVLRMSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(2)16-13(15)11-8-14-12(17-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate?
propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 14942570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).