5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid

C9H8N2O4 — CID 81177327

IUPAC5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccon2)o1
InChIInChI=1S/C9H8N2O4/c12-9(13)7-1-2-8(15-7)10-5-6-3-4-14-11-6/h1-4,10H,5H2,(H,12,13)
InChIKeyRYKLYHKADOITTL-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.58
Rot. Bonds4

About 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid

5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid (PubChem CID 81177327) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid
PubChem CID81177327
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccon2)o1
InChIInChI=1S/C9H8N2O4/c12-9(13)7-1-2-8(15-7)10-5-6-3-4-14-11-6/h1-4,10H,5H2,(H,12,13)
InChIKeyRYKLYHKADOITTL-UHFFFAOYSA-N
XLogP1.58
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid
CID 62205130
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
CID 62205127
4-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81178228
5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
5-[(3,4-difluorophenyl)methylamino]furan-2-carboxylic acid
CID 62206208
3-(1,2-oxazol-3-ylmethylamino)pyridine-4-carboxylic acid
CID 114288825
5-chloro-2-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81177559
2-amino-4-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 104500809
5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
CID 62369627
(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 71866136
5-methyl-2-(1,2-oxazol-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 115424938
3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylic acid
CID 81173910

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid (CID 81177327) is 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid is O=C(O)c1ccc(NCc2ccon2)o1.
What is the InChIKey of 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid?
The InChIKey is RYKLYHKADOITTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-9(13)7-1-2-8(15-7)10-5-6-3-4-14-11-6/h1-4,10H,5H2,(H,12,13).
What are the key properties of 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid?
5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid is sourced from PubChem (CID 81177327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).