3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid

C12H18N2O4 — CID 15682566

IUPAC3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid
SMILESCCCc1onc(C(=O)NC(C)(C)C)c1C(=O)O
InChIInChI=1S/C12H18N2O4/c1-5-6-7-8(11(16)17)9(14-18-7)10(15)13-12(2,3)4/h5-6H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyQCTGOYXSLSDCNP-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.85
Rot. Bonds4

About 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid

3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid (PubChem CID 15682566) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid
PubChem CID15682566
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid
SMILESCCCc1onc(C(=O)NC(C)(C)C)c1C(=O)O
InChIInChI=1S/C12H18N2O4/c1-5-6-7-8(11(16)17)9(14-18-7)10(15)13-12(2,3)4/h5-6H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyQCTGOYXSLSDCNP-UHFFFAOYSA-N
XLogP1.85
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 5325757
3-Tert-butylaminocarbonyl-5-methylisoxazole-4-carboxylic acid
CID 10513407
5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368317
5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368325
3-methyl-5-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368334
5-Methyl-3-(trifluoromethylcarbamoyl)-1,2-oxazole-4-carboxylic acid
CID 174534041
5-Tert-butylaminocarbonyl-3-isopropylisoxazole-4-carboxylic acid
CID 14990281
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972
5-(Cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 15693004
1-[[2-(3,5-Dimethyl-1,2-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43386885
Methyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 10562012
5-(Tert-butylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylic acid
CID 15056712

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid (CID 15682566) is 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid is CCCc1onc(C(=O)NC(C)(C)C)c1C(=O)O.
What is the InChIKey of 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is QCTGOYXSLSDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-6-7-8(11(16)17)9(14-18-7)10(15)13-12(2,3)4/h5-6H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid?
3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoyl)-5-propyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 15682566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).