N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide

C16H25N3O3 — CID 136617843

IUPACN-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
SMILESC/C(=C/O)c1cc(NC(=O)C(C)(C)N2CCCCC2C)on1
InChIInChI=1S/C16H25N3O3/c1-11(10-20)13-9-14(22-18-13)17-15(21)16(3,4)19-8-6-5-7-12(19)2/h9-10,12,20H,5-8H2,1-4H3,(H,17,21)/b11-10-
InChIKeyWMYSPYRNMJWQAA-KHPPLWFESA-N
MW307.39 g/mol
LogP3.18
Rot. Bonds4

About N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide

N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide (PubChem CID 136617843) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
PubChem CID136617843
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
SMILESC/C(=C/O)c1cc(NC(=O)C(C)(C)N2CCCCC2C)on1
InChIInChI=1S/C16H25N3O3/c1-11(10-20)13-9-14(22-18-13)17-15(21)16(3,4)19-8-6-5-7-12(19)2/h9-10,12,20H,5-8H2,1-4H3,(H,17,21)/b11-10-
InChIKeyWMYSPYRNMJWQAA-KHPPLWFESA-N
XLogP3.18
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide (CID 136617843) is N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide is C/C(=C/O)c1cc(NC(=O)C(C)(C)N2CCCCC2C)on1.
What is the InChIKey of N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is WMYSPYRNMJWQAA-KHPPLWFESA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(10-20)13-9-14(22-18-13)17-15(21)16(3,4)19-8-6-5-7-12(19)2/h9-10,12,20H,5-8H2,1-4H3,(H,17,21)/b11-10-.
What are the key properties of N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-1-hydroxyprop-1-en-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 136617843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).