1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H24N4O3 — CID 70732399

IUPAC1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1nc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)co1
InChIInChI=1S/C17H24N4O3/c1-12(2)15-4-7-21(19-15)17(16(22)23)5-8-20(9-6-17)10-14-11-24-13(3)18-14/h4,7,11-12H,5-6,8-10H2,1-3H3,(H,22,23)
InChIKeyLPRDWEXKXOEFRZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.38
Rot. Bonds5

About 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 70732399) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID70732399
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1nc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)co1
InChIInChI=1S/C17H24N4O3/c1-12(2)15-4-7-21(19-15)17(16(22)23)5-8-20(9-6-17)10-14-11-24-13(3)18-14/h4,7,11-12H,5-6,8-10H2,1-3H3,(H,22,23)
InChIKeyLPRDWEXKXOEFRZ-UHFFFAOYSA-N
XLogP2.38
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 70732399) is 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1nc(CN2CCC(C(=O)O)(n3ccc(C(C)C)n3)CC2)co1.
What is the InChIKey of 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is LPRDWEXKXOEFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(2)15-4-7-21(19-15)17(16(22)23)5-8-20(9-6-17)10-14-11-24-13(3)18-14/h4,7,11-12H,5-6,8-10H2,1-3H3,(H,22,23).
What are the key properties of 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70732399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).