3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid

C11H11NO4 — CID 165454721

IUPAC3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid
SMILESCCCc1onc(-c2ccco2)c1C(=O)O
InChIInChI=1S/C11H11NO4/c1-2-4-7-9(11(13)14)10(12-16-7)8-5-3-6-15-8/h3,5-6H,2,4H2,1H3,(H,13,14)
InChIKeyXTPMCQMKAADPAU-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.59
Rot. Bonds4

About 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid

3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid (PubChem CID 165454721) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid
PubChem CID165454721
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid
SMILESCCCc1onc(-c2ccco2)c1C(=O)O
InChIInChI=1S/C11H11NO4/c1-2-4-7-9(11(13)14)10(12-16-7)8-5-3-6-15-8/h3,5-6H,2,4H2,1H3,(H,13,14)
InChIKeyXTPMCQMKAADPAU-UHFFFAOYSA-N
XLogP2.59
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454720
2-(furan-2-yl)-5-propyl-1,3-thiazole-4-carboxylic acid
CID 117098928
3-(furan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806052
3-(furan-2-yl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 110682399
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682415
4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 136692913
3-(furan-2-yl)-5-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110682397
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-N-propylbenzamide
CID 83277422
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682416
5-ethyl-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 114058122
6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid
CID 62631969
N-(3-chlorophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682474

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid (CID 165454721) is 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid is CCCc1onc(-c2ccco2)c1C(=O)O.
What is the InChIKey of 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is XTPMCQMKAADPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-2-4-7-9(11(13)14)10(12-16-7)8-5-3-6-15-8/h3,5-6H,2,4H2,1H3,(H,13,14).
What are the key properties of 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid?
3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-propyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165454721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).