5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C8H10N6O4 — CID 107427037

IUPAC5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(NC(=O)C1CC(C(=O)O)=NO1)c1nn[nH]n1
InChIInChI=1S/C8H10N6O4/c1-3(6-10-13-14-11-6)9-7(15)5-2-4(8(16)17)12-18-5/h3,5H,2H2,1H3,(H,9,15)(H,16,17)(H,10,11,13,14)
InChIKeyUCYUMZSIGYBKTN-UHFFFAOYSA-N
MW254.21 g/mol
LogP-1.39
Rot. Bonds4

About 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427037) has the molecular formula C8H10N6O4 and a molecular weight of 254.21 g/mol. Its IUPAC name is 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427037
Molecular FormulaC8H10N6O4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Name5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(NC(=O)C1CC(C(=O)O)=NO1)c1nn[nH]n1
InChIInChI=1S/C8H10N6O4/c1-3(6-10-13-14-11-6)9-7(15)5-2-4(8(16)17)12-18-5/h3,5H,2H2,1H3,(H,9,15)(H,16,17)(H,10,11,13,14)
InChIKeyUCYUMZSIGYBKTN-UHFFFAOYSA-N
XLogP-1.39
TPSA142.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 106283544
5-(but-3-yn-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427588
5-(heptan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426902
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311
5-(1-ethoxypropan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427031
(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 155074064
5-[1-(oxolan-3-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427575
5-(1-methylsulfanylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427545
5-[1-(3-bromophenyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426950
5-[1-(3-chlorophenyl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426929
3,3-dimethyl-2-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]butanoic acid
CID 116537012
5-(2-methoxypropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427611

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427037) is 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC(NC(=O)C1CC(C(=O)O)=NO1)c1nn[nH]n1.
What is the InChIKey of 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is UCYUMZSIGYBKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O4/c1-3(6-10-13-14-11-6)9-7(15)5-2-4(8(16)17)12-18-5/h3,5H,2H2,1H3,(H,9,15)(H,16,17)(H,10,11,13,14).
What are the key properties of 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of -1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).