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

C11H14N4O4 — CID 114131892

IUPAC5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCc1cnn(CCNC(=O)C2CC(C(=O)O)=NO2)c1
InChIInChI=1S/C11H14N4O4/c1-7-5-13-15(6-7)3-2-12-10(16)9-4-8(11(17)18)14-19-9/h5-6,9H,2-4H2,1H3,(H,12,16)(H,17,18)
InChIKeyXOGYVUAWPKJZGP-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.46
Rot. Bonds5

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

5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 114131892) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID114131892
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCc1cnn(CCNC(=O)C2CC(C(=O)O)=NO2)c1
InChIInChI=1S/C11H14N4O4/c1-7-5-13-15(6-7)3-2-12-10(16)9-4-8(11(17)18)14-19-9/h5-6,9H,2-4H2,1H3,(H,12,16)(H,17,18)
InChIKeyXOGYVUAWPKJZGP-UHFFFAOYSA-N
XLogP-0.46
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 114130686
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
N-[2-(4-methylpyrazol-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72909703
5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427469
2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid
CID 113363990
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427190
1-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 103950251
3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide
CID 122571650
3-fluoro-N-[2-(4-methylpyrazol-1-yl)ethyl]azetidine-1-carboxamide
CID 126776995
5-(2-methoxypropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427611
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 91834868

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 114131892) is 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is Cc1cnn(CCNC(=O)C2CC(C(=O)O)=NO2)c1.
What is the InChIKey of 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is XOGYVUAWPKJZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-7-5-13-15(6-7)3-2-12-10(16)9-4-8(11(17)18)14-19-9/h5-6,9H,2-4H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpyrazol-1-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 114131892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).