3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C10H14N2O5 — CID 107369966

IUPAC3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCOCC(C)(C)NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C10H14N2O5/c1-10(2,5-16-3)11-8(13)6-4-7(9(14)15)17-12-6/h4H,5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyKPECWJFAJAVONA-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.53
Rot. Bonds5

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

3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369966) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369966
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCOCC(C)(C)NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C10H14N2O5/c1-10(2,5-16-3)11-8(13)6-4-7(9(14)15)17-12-6/h4H,5H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyKPECWJFAJAVONA-UHFFFAOYSA-N
XLogP0.53
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
5-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264538
N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 115610740
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
1-chloro-N-(1-methoxy-2-methylpropan-2-yl)isoquinoline-3-carboxamide
CID 115617043
5-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 115730361
3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112585
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369010
3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110836534
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369966) is 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is COCC(C)(C)NC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is KPECWJFAJAVONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-10(2,5-16-3)11-8(13)6-4-7(9(14)15)17-12-6/h4H,5H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).