2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide

C16H27N3O2 — CID 97353226

IUPAC2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)NCCCCN2CCCC[C@@H]2C)co1
InChIInChI=1S/C16H27N3O2/c1-3-15-18-14(12-21-15)16(20)17-9-5-7-11-19-10-6-4-8-13(19)2/h12-13H,3-11H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyHMLMMPDZUTVDMI-ZDUSSCGKSA-N
MW293.41 g/mol
LogP2.62
Rot. Bonds7

About 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide

2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide (PubChem CID 97353226) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide
PubChem CID97353226
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)NCCCCN2CCCC[C@@H]2C)co1
InChIInChI=1S/C16H27N3O2/c1-3-15-18-14(12-21-15)16(20)17-9-5-7-11-19-10-6-4-8-13(19)2/h12-13H,3-11H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyHMLMMPDZUTVDMI-ZDUSSCGKSA-N
XLogP2.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminoethyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3868923
2-(1-amino-2-methylbutyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3800262
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-oxazole-4-carboxamide
CID 7430538
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 47123940

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide (CID 97353226) is 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide is CCc1nc(C(=O)NCCCCN2CCCC[C@@H]2C)co1.
What is the InChIKey of 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HMLMMPDZUTVDMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-15-18-14(12-21-15)16(20)17-9-5-7-11-19-10-6-4-8-13(19)2/h12-13H,3-11H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide?
2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97353226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).