N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide

C15H23N3O3 — CID 62654573

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2CCCC(C=O)C2)on1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)12-7-14(21-17-12)16-13(20)9-18-6-4-5-11(8-18)10-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,20)
InChIKeyRGZOCMFTBDIKQV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.82
Rot. Bonds4

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide (PubChem CID 62654573) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide
PubChem CID62654573
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2CCCC(C=O)C2)on1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)12-7-14(21-17-12)16-13(20)9-18-6-4-5-11(8-18)10-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,20)
InChIKeyRGZOCMFTBDIKQV-UHFFFAOYSA-N
XLogP1.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62654108
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004522
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004521
2-(4-amino-3-methylpiperidin-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79873965
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33027611
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 9346121
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692063
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048672
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95610094
2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
CID 62660463
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide (CID 62654573) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide is CC(C)(C)c1cc(NC(=O)CN2CCCC(C=O)C2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide?
The InChIKey is RGZOCMFTBDIKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)12-7-14(21-17-12)16-13(20)9-18-6-4-5-11(8-18)10-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,16,20).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62654573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).