5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid

C11H14N4O3 — CID 136991713

IUPAC5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
SMILESCC(C)CCc1noc(-c2[nH]cnc2C(=O)O)n1
InChIInChI=1S/C11H14N4O3/c1-6(2)3-4-7-14-10(18-15-7)8-9(11(16)17)13-5-12-8/h5-6H,3-4H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyDQDSYUWSZQSGEC-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.75
Rot. Bonds5

About 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid

5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid (PubChem CID 136991713) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
PubChem CID136991713
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
SMILESCC(C)CCc1noc(-c2[nH]cnc2C(=O)O)n1
InChIInChI=1S/C11H14N4O3/c1-6(2)3-4-7-14-10(18-15-7)8-9(11(16)17)13-5-12-8/h5-6H,3-4H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyDQDSYUWSZQSGEC-UHFFFAOYSA-N
XLogP1.75
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991683
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-imidazole-4-carboxylic acid
CID 136991685
5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991715
5-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136997481
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991739
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 113447842
N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 113442813
[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596699
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
CID 30333454
2-[[(3S)-3-methyl-1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]amino]acetic acid
CID 129324215
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 65137805
1-methoxy-3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344926

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid (CID 136991713) is 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid is CC(C)CCc1noc(-c2[nH]cnc2C(=O)O)n1.
What is the InChIKey of 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
The InChIKey is DQDSYUWSZQSGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-6(2)3-4-7-14-10(18-15-7)8-9(11(16)17)13-5-12-8/h5-6H,3-4H2,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid?
5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 136991713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).