5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid

C16H12N2O5 — CID 146132693

IUPAC5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H12N2O5/c19-14(13-6-11(8-22-13)16(20)21)17-7-12-9-23-15(18-12)10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,17,19)(H,20,21)
InChIKeyLTAONMVYQFMGTK-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.56
Rot. Bonds5

About 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid

5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 146132693) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID146132693
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H12N2O5/c19-14(13-6-11(8-22-13)16(20)21)17-7-12-9-23-15(18-12)10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,17,19)(H,20,21)
InChIKeyLTAONMVYQFMGTK-UHFFFAOYSA-N
XLogP2.56
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 90651686
5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131898045
2-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-dihydroimidazole-4-carboxamide
CID 90649187
2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
CID 75494256
2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70716417
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 131936152
2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 90649694
1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507637
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111553419
1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 154806949
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111553418

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid (CID 146132693) is 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NCc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is LTAONMVYQFMGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c19-14(13-6-11(8-22-13)16(20)21)17-7-12-9-23-15(18-12)10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,17,19)(H,20,21).
What are the key properties of 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid?
5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 312.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 146132693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).