3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C12H18N2O5 — CID 107369440

IUPAC3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCC(C)N(CCOC)C(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H18N2O5/c1-4-8(2)14(5-6-18-3)11(15)9-7-10(12(16)17)19-13-9/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyKOVZRIZVWVLUFZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.26
Rot. Bonds7

About 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369440) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369440
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCC(C)N(CCOC)C(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H18N2O5/c1-4-8(2)14(5-6-18-3)11(15)9-7-10(12(16)17)19-13-9/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyKOVZRIZVWVLUFZ-UHFFFAOYSA-N
XLogP1.26
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889770
3-[propan-2-yl(prop-2-enyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369864
3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369445
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
2-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 66377502
N-butan-2-yl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 55050644
3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369276
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62186979

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369440) is 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CCC(C)N(CCOC)C(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is KOVZRIZVWVLUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-4-8(2)14(5-6-18-3)11(15)9-7-10(12(16)17)19-13-9/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).