N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide

C14H19N7O3 — CID 59200018

IUPACN-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)NN3CCN(CCO)CC3)cn2)no1
InChIInChI=1S/C14H19N7O3/c1-10-17-13(19-24-10)12-15-8-11(9-16-12)14(23)18-21-4-2-20(3-5-21)6-7-22/h8-9,22H,2-7H2,1H3,(H,18,23)
InChIKeyKYGUECIXLVYLJM-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.91
Rot. Bonds5

About N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide

N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide (PubChem CID 59200018) has the molecular formula C14H19N7O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide
PubChem CID59200018
Molecular FormulaC14H19N7O3
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC NameN-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)NN3CCN(CCO)CC3)cn2)no1
InChIInChI=1S/C14H19N7O3/c1-10-17-13(19-24-10)12-15-8-11(9-16-12)14(23)18-21-4-2-20(3-5-21)6-7-22/h8-9,22H,2-7H2,1H3,(H,18,23)
InChIKeyKYGUECIXLVYLJM-UHFFFAOYSA-N
XLogP-0.91
TPSA120.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide (CID 59200018) is N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide is Cc1nc(-c2ncc(C(=O)NN3CCN(CCO)CC3)cn2)no1.
What is the InChIKey of N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide?
The InChIKey is KYGUECIXLVYLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O3/c1-10-17-13(19-24-10)12-15-8-11(9-16-12)14(23)18-21-4-2-20(3-5-21)6-7-22/h8-9,22H,2-7H2,1H3,(H,18,23).
What are the key properties of N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide?
N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 59200018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).