2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

C17H24N4O3 — CID 119062760

IUPAC2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCC(C)c1nc(CN2CCCC(c3ccnn3CC(=O)O)C2)co1
InChIInChI=1S/C17H24N4O3/c1-12(2)17-19-14(11-24-17)9-20-7-3-4-13(8-20)15-5-6-18-21(15)10-16(22)23/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,23)
InChIKeySZLKRIVWQRSBDK-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.46
Rot. Bonds6

About 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 119062760) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID119062760
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCC(C)c1nc(CN2CCCC(c3ccnn3CC(=O)O)C2)co1
InChIInChI=1S/C17H24N4O3/c1-12(2)17-19-14(11-24-17)9-20-7-3-4-13(8-20)15-5-6-18-21(15)10-16(22)23/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,23)
InChIKeySZLKRIVWQRSBDK-UHFFFAOYSA-N
XLogP2.46
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 119062760) is 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is CC(C)c1nc(CN2CCCC(c3ccnn3CC(=O)O)C2)co1.
What is the InChIKey of 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is SZLKRIVWQRSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(2)17-19-14(11-24-17)9-20-7-3-4-13(8-20)15-5-6-18-21(15)10-16(22)23/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119062760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).