6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid

C16H21N5O3 — CID 134713027

IUPAC6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCC(c3nc(C(C)C)no3)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-9(2)13-19-14(24-20-13)11-4-6-21(7-5-11)16-17-10(3)8-12(18-16)15(22)23/h8-9,11H,4-7H2,1-3H3,(H,22,23)
InChIKeyCFAQGKRKMSBSPJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.37
Rot. Bonds4

About 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid

6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid (PubChem CID 134713027) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid
PubChem CID134713027
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(N2CCC(c3nc(C(C)C)no3)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-9(2)13-19-14(24-20-13)11-4-6-21(7-5-11)16-17-10(3)8-12(18-16)15(22)23/h8-9,11H,4-7H2,1-3H3,(H,22,23)
InChIKeyCFAQGKRKMSBSPJ-UHFFFAOYSA-N
XLogP2.37
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid (CID 134713027) is 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(N2CCC(c3nc(C(C)C)no3)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid?
The InChIKey is CFAQGKRKMSBSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-9(2)13-19-14(24-20-13)11-4-6-21(7-5-11)16-17-10(3)8-12(18-16)15(22)23/h8-9,11H,4-7H2,1-3H3,(H,22,23).
What are the key properties of 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid?
6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid has a molecular weight of 331.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 134713027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).