(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate

C16H13NO4 — CID 18197445

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H13NO4/c1-11-14(7-8-19-11)16(18)21-10-13-9-20-15(17-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyMZCBFZKVBHMHMI-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.60
Rot. Bonds4

About (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate (PubChem CID 18197445) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
PubChem CID18197445
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H13NO4/c1-11-14(7-8-19-11)16(18)21-10-13-9-20-15(17-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyMZCBFZKVBHMHMI-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

(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55547095
(2-phenyl-1,3-oxazol-4-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199699
(2-phenyl-1,3-oxazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 32925580
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 18085109
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589
(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 166222394
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(2-phenyl-1,3-oxazol-4-yl)methyl 6-methoxypyridine-3-carboxylate
CID 18099446

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate (CID 18197445) is (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCc1coc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate?
The InChIKey is MZCBFZKVBHMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-11-14(7-8-19-11)16(18)21-10-13-9-20-15(17-13)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate?
(2-phenyl-1,3-oxazol-4-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 (2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate is sourced from PubChem (CID 18197445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).