2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid

C10H11NO3 — CID 114374227

IUPAC2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(C2CC2)nc1C1CC1
InChIInChI=1S/C10H11NO3/c12-10(13)8-7(5-1-2-5)11-9(14-8)6-3-4-6/h5-6H,1-4H2,(H,12,13)
InChIKeyWDNXAECRQBGSFR-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.13
Rot. Bonds3

About 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid

2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114374227) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
PubChem CID114374227
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(C2CC2)nc1C1CC1
InChIInChI=1S/C10H11NO3/c12-10(13)8-7(5-1-2-5)11-9(14-8)6-3-4-6/h5-6H,1-4H2,(H,12,13)
InChIKeyWDNXAECRQBGSFR-UHFFFAOYSA-N
XLogP2.13
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 103311248
4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374240
4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374176
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105433312
2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518882
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842337
2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374437

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid (CID 114374227) is 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(C2CC2)nc1C1CC1.
What is the InChIKey of 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is WDNXAECRQBGSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10(13)8-7(5-1-2-5)11-9(14-8)6-3-4-6/h5-6H,1-4H2,(H,12,13).
What are the key properties of 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid?
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).