2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid

C16H21N5O4 — CID 120696739

IUPAC2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)CCCc2nc(C3CC3)no2)cn1
InChIInChI=1S/C16H21N5O4/c1-16(2,15(23)24)21-9-11(8-17-21)18-12(22)4-3-5-13-19-14(20-25-13)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,18,22)(H,23,24)
InChIKeyNKQWBEXEVDJSRG-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.92
Rot. Bonds8

About 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696739) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696739
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)CCCc2nc(C3CC3)no2)cn1
InChIInChI=1S/C16H21N5O4/c1-16(2,15(23)24)21-9-11(8-17-21)18-12(22)4-3-5-13-19-14(20-25-13)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,18,22)(H,23,24)
InChIKeyNKQWBEXEVDJSRG-UHFFFAOYSA-N
XLogP1.92
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pyrazol-1-yl]propanoic acid
CID 120697646
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
2-chloro-4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoic acid
CID 119178934
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706
5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
CID 120690778
N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119419525
2-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenoxy]acetic acid
CID 119224703
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]butanamide
CID 124735491
2-methyl-2-[4-(6-thiophen-2-ylhexanoylamino)pyrazol-1-yl]propanoic acid
CID 120697578
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 110004468
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696739) is 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)CCCc2nc(C3CC3)no2)cn1.
What is the InChIKey of 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is NKQWBEXEVDJSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-16(2,15(23)24)21-9-11(8-17-21)18-12(22)4-3-5-13-19-14(20-25-13)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,18,22)(H,23,24).
What are the key properties of 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 347.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).