N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C15H25N3O3 — CID 70734334

IUPACN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCCCC2CO)on1
InChIInChI=1S/C15H25N3O3/c1-11(2)13-9-14(21-17-13)15(20)16-6-8-18-7-4-3-5-12(18)10-19/h9,11-12,19H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyKLWFZXOBCINWLX-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.37
Rot. Bonds6

About N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 70734334) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID70734334
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCCCC2CO)on1
InChIInChI=1S/C15H25N3O3/c1-11(2)13-9-14(21-17-13)15(20)16-6-8-18-7-4-3-5-12(18)10-19/h9,11-12,19H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyKLWFZXOBCINWLX-UHFFFAOYSA-N
XLogP1.37
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 70734334) is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NCCN2CCCCC2CO)on1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is KLWFZXOBCINWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(2)13-9-14(21-17-13)15(20)16-6-8-18-7-4-3-5-12(18)10-19/h9,11-12,19H,3-8,10H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70734334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).