2-propyl-1,3-oxazole-4-carboxylic acid

C7H9NO3 — CID 53403815

IUPAC2-propyl-1,3-oxazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)co1
InChIInChI=1S/C7H9NO3/c1-2-3-6-8-5(4-11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyFTDYCDRLDRQBBE-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.33
Rot. Bonds3

About 2-propyl-1,3-oxazole-4-carboxylic acid

2-propyl-1,3-oxazole-4-carboxylic acid (PubChem CID 53403815) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-propyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1,3-oxazole-4-carboxylic acid
PubChem CID53403815
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-propyl-1,3-oxazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)co1
InChIInChI=1S/C7H9NO3/c1-2-3-6-8-5(4-11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyFTDYCDRLDRQBBE-UHFFFAOYSA-N
XLogP1.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyloxazole-4-carboxylic acid
CID 539404
Ethyl 2-methyl-1,3-oxazole-4-carboxylate
CID 10402496
Methyl 2-methyl-1,3-oxazole-4-carboxylate
CID 10855551
2-Ethyl-1,3-oxazole-4-carboxylic acid
CID 21284955
2-Chloro-1,3-oxazole-4-carboxylic acid
CID 44182043
Ethyl 2-(2-bromoethyl)-1,3-oxazole-4-carboxylate
CID 10857806
5-Ethoxy-2-methyl-1,3-oxazole-4-carboxylic acid
CID 12265786
2-(Propan-2-yl)-1,3-oxazole-4-carboxylic acid
CID 14964878
2-tert-Butyl-1,3-oxazole-4-carboxylic acid
CID 19786349
2-(Bromomethyl)-1,3-oxazole-4-carboxylic acid
CID 22003657
2-Cyclopropyl-1,3-oxazole-4-carboxylic acid
CID 25219273
Ethyl 2-ethyl-1,3-oxazole-4-carboxylate
CID 53255326

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-propyl-1,3-oxazole-4-carboxylic acid (CID 53403815) is 2-propyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-propyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-propyl-1,3-oxazole-4-carboxylic acid is CCCc1nc(C(=O)O)co1.
What is the InChIKey of 2-propyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is FTDYCDRLDRQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-3-6-8-5(4-11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-propyl-1,3-oxazole-4-carboxylic acid?
2-propyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 53403815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).