5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H14N2O5 — CID 107426983

IUPAC5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)N(CCO)C2CC2)C1
InChIInChI=1S/C10H14N2O5/c13-4-3-12(6-1-2-6)9(14)8-5-7(10(15)16)11-17-8/h6,8,13H,1-5H2,(H,15,16)
InChIKeyXDFWGTFLAWDAFZ-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.80
Rot. Bonds5

About 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426983) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426983
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)N(CCO)C2CC2)C1
InChIInChI=1S/C10H14N2O5/c13-4-3-12(6-1-2-6)9(14)8-5-7(10(15)16)11-17-8/h6,8,13H,1-5H2,(H,15,16)
InChIKeyXDFWGTFLAWDAFZ-UHFFFAOYSA-N
XLogP-0.80
TPSA99.43 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 ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426984
5-[bis(prop-2-enyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426517
5-[cyclopropyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687708
5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426978
5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427191
5-[methyl(thiophen-2-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426756
5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427065
5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43577374
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427469
5-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426689
5-[2-(hydroxymethyl)morpholine-4-carbonyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427386

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426983) is 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C(=O)N(CCO)C2CC2)C1.
What is the InChIKey of 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is XDFWGTFLAWDAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-4-3-12(6-1-2-6)9(14)8-5-7(10(15)16)11-17-8/h6,8,13H,1-5H2,(H,15,16).
What are the key properties of 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).