N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide

C16H25N3O3 — CID 91953841

IUPACN-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)c2cc(C(C)C)on2)C1
InChIInChI=1S/C16H25N3O3/c1-10(2)14-8-13(18-22-14)16(21)19-7-5-6-12(9-19)15(20)17-11(3)4/h8,10-12H,5-7,9H2,1-4H3,(H,17,20)
InChIKeyWBSIMEWRTDSKJX-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.17
Rot. Bonds4

About N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide

N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 91953841) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID91953841
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)c2cc(C(C)C)on2)C1
InChIInChI=1S/C16H25N3O3/c1-10(2)14-8-13(18-22-14)16(21)19-7-5-6-12(9-19)15(20)17-11(3)4/h8,10-12H,5-7,9H2,1-4H3,(H,17,20)
InChIKeyWBSIMEWRTDSKJX-UHFFFAOYSA-N
XLogP2.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610
[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 70779809
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45185070
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953940
[(3S)-3-(2-methoxyethyl)azepan-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124727523
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101
piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 119043229

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide (CID 91953841) is N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(C(=O)c2cc(C(C)C)on2)C1.
What is the InChIKey of N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is WBSIMEWRTDSKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10(2)14-8-13(18-22-14)16(21)19-7-5-6-12(9-19)15(20)17-11(3)4/h8,10-12H,5-7,9H2,1-4H3,(H,17,20).
What are the key properties of N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide?
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 91953841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).