(4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid

C14H11NO4 — CID 15215133

IUPAC(4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccco1
InChIInChI=1S/C14H11NO4/c16-14(17)12-11(10-7-4-8-18-10)15-13(19-12)9-5-2-1-3-6-9/h1-8,11-12H,(H,16,17)/t11-,12+/m0/s1
InChIKeyDZAKAMZXNFFKLC-NWDGAFQWSA-N
MW257.25 g/mol
LogP2.25
Rot. Bonds3

About (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid

(4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid (PubChem CID 15215133) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid
PubChem CID15215133
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name(4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccco1
InChIInChI=1S/C14H11NO4/c16-14(17)12-11(10-7-4-8-18-10)15-13(19-12)9-5-2-1-3-6-9/h1-8,11-12H,(H,16,17)/t11-,12+/m0/s1
InChIKeyDZAKAMZXNFFKLC-NWDGAFQWSA-N
XLogP2.25
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The IUPAC name of (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid (CID 15215133) is (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid is O=C(O)[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccco1.
What is the InChIKey of (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The InChIKey is DZAKAMZXNFFKLC-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H11NO4/c16-14(17)12-11(10-7-4-8-18-10)15-13(19-12)9-5-2-1-3-6-9/h1-8,11-12H,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
(4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(furan-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 15215133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).