2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid

C15H21N5O4 — CID 120697646

IUPAC2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid
SMILESCC(C)c1noc(CCC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n1
InChIInChI=1S/C15H21N5O4/c1-9(2)13-18-12(24-19-13)6-5-11(21)17-10-7-16-20(8-10)15(3,4)14(22)23/h7-9H,5-6H2,1-4H3,(H,17,21)(H,22,23)
InChIKeyRACXANFUDQKATD-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.78
Rot. Bonds7

About 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid (PubChem CID 120697646) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid
PubChem CID120697646
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid
SMILESCC(C)c1noc(CCC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n1
InChIInChI=1S/C15H21N5O4/c1-9(2)13-18-12(24-19-13)6-5-11(21)17-10-7-16-20(8-10)15(3,4)14(22)23/h7-9H,5-6H2,1-4H3,(H,17,21)(H,22,23)
InChIKeyRACXANFUDQKATD-UHFFFAOYSA-N
XLogP1.78
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
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2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
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CID 38817806
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CID 47029394
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 47255836
2-methyl-2-[4-(6-thiophen-2-ylhexanoylamino)pyrazol-1-yl]propanoic acid
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(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid (CID 120697646) is 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid is CC(C)c1noc(CCC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n1.
What is the InChIKey of 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid?
The InChIKey is RACXANFUDQKATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-9(2)13-18-12(24-19-13)6-5-11(21)17-10-7-16-20(8-10)15(3,4)14(22)23/h7-9H,5-6H2,1-4H3,(H,17,21)(H,22,23).
What are the key properties of 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid has a molecular weight of 335.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120697646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).