N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide

C16H21N5O3 — CID 110123556

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCC1=C(OC=N1)C(=O)N(C)CC2(CCCN(C2)C3=NC=CN=C3)O
InChIInChI=1S/C16H21N5O3/c1-12-14(24-11-19-12)15(22)20(2)9-16(23)4-3-7-21(10-16)13-8-17-5-6-18-13/h5-6,8,11,23H,3-4,7,9-10H2,1-2H3
InChIKeyXWLLWCJZTWAQRG-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.20
Rot. Bonds4

About N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide

N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 110123556) has the molecular formula C16H21N5O3 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID110123556
Molecular FormulaC16H21N5O3
Molecular Weight331.37 g/mol
Exact Mass331.16
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCC1=C(OC=N1)C(=O)N(C)CC2(CCCN(C2)C3=NC=CN=C3)O
InChIInChI=1S/C16H21N5O3/c1-12-14(24-11-19-12)15(22)20(2)9-16(23)4-3-7-21(10-16)13-8-17-5-6-18-13/h5-6,8,11,23H,3-4,7,9-10H2,1-2H3
InChIKeyXWLLWCJZTWAQRG-UHFFFAOYSA-N
XLogP0.20
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity451

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (CID 110123556) is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is CC1=C(OC=N1)C(=O)N(C)CC2(CCCN(C2)C3=NC=CN=C3)O.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is XWLLWCJZTWAQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-12-14(24-11-19-12)15(22)20(2)9-16(23)4-3-7-21(10-16)13-8-17-5-6-18-13/h5-6,8,11,23H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110123556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).