4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid

C12H16N2O5 — CID 125454593

IUPAC4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nc(C2CC2)c(C(=O)O)o1
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-10-13-7(6-4-5-6)8(18-10)9(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyVSOTXOALPQIYNA-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.60
Rot. Bonds3

About 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid

4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid (PubChem CID 125454593) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
PubChem CID125454593
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nc(C2CC2)c(C(=O)O)o1
InChIInChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-10-13-7(6-4-5-6)8(18-10)9(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyVSOTXOALPQIYNA-UHFFFAOYSA-N
XLogP2.60
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid
CID 165452073
4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374176
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazol-5-yl] hydrogen carbonate
CID 89497332
4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105433312
2-tert-butyl-4-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115043050
4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 103311248
4-methyl-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1,3-oxazole-5-carboxylic acid
CID 125452079
tert-butyl N-(5-bromo-[1,3]oxazolo[4,5-b]pyridin-2-yl)carbamate
CID 126700782
tert-butyl N-(4-bromo-1,3-benzoxazol-2-yl)carbamate
CID 163409910
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 154853416
tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate
CID 146254523
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid (CID 125454593) is 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid is CC(C)(C)OC(=O)Nc1nc(C2CC2)c(C(=O)O)o1.
What is the InChIKey of 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid?
The InChIKey is VSOTXOALPQIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-10-13-7(6-4-5-6)8(18-10)9(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H,13,14,17).
What are the key properties of 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid?
4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 125454593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).