2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

C14H23N3O2 — CID 42656529

IUPAC2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC1CCN(Cc2nc(C(=O)NC(C)C)co2)CC1
InChIInChI=1S/C14H23N3O2/c1-10(2)15-14(18)12-9-19-13(16-12)8-17-6-4-11(3)5-7-17/h9-11H,4-8H2,1-3H3,(H,15,18)
InChIKeyJPGFMTPNNFSEME-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.04
Rot. Bonds4

About 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 42656529) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID42656529
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC1CCN(Cc2nc(C(=O)NC(C)C)co2)CC1
InChIInChI=1S/C14H23N3O2/c1-10(2)15-14(18)12-9-19-13(16-12)8-17-6-4-11(3)5-7-17/h9-11H,4-8H2,1-3H3,(H,15,18)
InChIKeyJPGFMTPNNFSEME-UHFFFAOYSA-N
XLogP2.04
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (CID 42656529) is 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is CC1CCN(Cc2nc(C(=O)NC(C)C)co2)CC1.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is JPGFMTPNNFSEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)15-14(18)12-9-19-13(16-12)8-17-6-4-11(3)5-7-17/h9-11H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42656529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).