N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

C17H26N6O2 — CID 124568412

IUPACN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1noc(C)c1[C@@H](C)CNC(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C17H26N6O2/c1-12(16-13(2)20-25-14(16)3)9-18-17(24)23-7-5-22(6-8-23)15-10-19-21(4)11-15/h10-12H,5-9H2,1-4H3,(H,18,24)/t12-/m0/s1
InChIKeyFPJKIMHJAJLELN-LBPRGKRZSA-N
MW346.44 g/mol
LogP1.66
Rot. Bonds4

About N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide

N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 124568412) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
PubChem CID124568412
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1noc(C)c1[C@@H](C)CNC(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C17H26N6O2/c1-12(16-13(2)20-25-14(16)3)9-18-17(24)23-7-5-22(6-8-23)15-10-19-21(4)11-15/h10-12H,5-9H2,1-4H3,(H,18,24)/t12-/m0/s1
InChIKeyFPJKIMHJAJLELN-LBPRGKRZSA-N
XLogP1.66
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide 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 N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide (CID 124568412) is N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCN(c2cnn(C)c2)CC1.
What is the InChIKey of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is FPJKIMHJAJLELN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12(16-13(2)20-25-14(16)3)9-18-17(24)23-7-5-22(6-8-23)15-10-19-21(4)11-15/h10-12H,5-9H2,1-4H3,(H,18,24)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide?
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 124568412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).