(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate

C16H13NO4 — CID 8968981

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H13NO4/c1-11-13(7-8-19-11)16(18)20-10-15-17-9-14(21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyAGSVDHQBCQIPCM-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.60
Rot. Bonds4

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate (PubChem CID 8968981) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
PubChem CID8968981
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C16H13NO4/c1-11-13(7-8-19-11)16(18)20-10-15-17-9-14(21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyAGSVDHQBCQIPCM-UHFFFAOYSA-N
XLogP3.60
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 2-nitrobenzoate
CID 9454725
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 18205556
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514820
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066783
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(5-phenyl-1,3-oxazol-2-yl)methyl 3-iodobenzoate
CID 8011127
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
CID 9467187
(5-phenyl-1,3-oxazol-2-yl)methyl 3-phenoxybenzoate
CID 16521994

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate (CID 8968981) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate?
The InChIKey is AGSVDHQBCQIPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-11-13(7-8-19-11)16(18)20-10-15-17-9-14(21-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate is sourced from PubChem (CID 8968981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).