4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene

C19H21NO3 — CID 157335604

IUPAC4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene
SMILESCCCc1cccc(-c2ccccc2)c1.O=C(O)C1=NOCC1
InChIInChI=1S/C15H16.C4H5NO3/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14;6-4(7)3-1-2-8-5-3/h3-6,8-12H,2,7H2,1H3;1-2H2,(H,6,7)
InChIKeyBFUNGDKASUFMRR-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.15
Rot. Bonds4

About 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene

4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene (PubChem CID 157335604) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene
PubChem CID157335604
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene
SMILESCCCc1cccc(-c2ccccc2)c1.O=C(O)C1=NOCC1
InChIInChI=1S/C15H16.C4H5NO3/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14;6-4(7)3-1-2-8-5-3/h3-6,8-12H,2,7H2,1H3;1-2H2,(H,6,7)
InChIKeyBFUNGDKASUFMRR-UHFFFAOYSA-N
XLogP4.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene?
The IUPAC name of 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene (CID 157335604) is 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene.
What is the SMILES notation for 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene?
The canonical SMILES for 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene is CCCc1cccc(-c2ccccc2)c1.O=C(O)C1=NOCC1.
What is the InChIKey of 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene?
The InChIKey is BFUNGDKASUFMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C4H5NO3/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14;6-4(7)3-1-2-8-5-3/h3-6,8-12H,2,7H2,1H3;1-2H2,(H,6,7).
What are the key properties of 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene?
4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene has a molecular weight of 311.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazole-3-carboxylic acid;1-phenyl-3-propylbenzene is sourced from PubChem (CID 157335604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).