N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

C13H21N3O2 — CID 106626378

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1ccon1
InChIInChI=1S/C13H21N3O2/c1-10(2)16(9-11-5-3-4-7-14-11)13(17)12-6-8-18-15-12/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyLOWYXMIDOANSQP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.67
Rot. Bonds4

About N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 106626378) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID106626378
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1ccon1
InChIInChI=1S/C13H21N3O2/c1-10(2)16(9-11-5-3-4-7-14-11)13(17)12-6-8-18-15-12/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyLOWYXMIDOANSQP-UHFFFAOYSA-N
XLogP1.67
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106608884
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 106626546
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
N-(piperidin-2-ylmethyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 106626410
N-(piperidin-2-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106626552
3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide
CID 106626597
5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609890
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 106626378) is N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)N(CC1CCCCN1)C(=O)c1ccon1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LOWYXMIDOANSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)16(9-11-5-3-4-7-14-11)13(17)12-6-8-18-15-12/h6,8,10-11,14H,3-5,7,9H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106626378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).