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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Related Compounds

N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
CID 91227549
2-methyl-2-(2-methylpiperidin-1-yl)propanoyl chloride
CID 82040589
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908
3-(2-methylazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369689
3-amino-5-hydroxy-4,4-dimethyl-N-[2-methyl-2-(2-methylpiperidin-1-yl)propanoyl]pent-2-enamide
CID 148903882
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
CID 173486390
2-[cyclohexyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide;1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methyl-3-[methyl(oxan-4-yl)amino]butan-2-one;N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide;1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one;1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methyl-3-(oxan-4-ylamino)butan-2-one;N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-piperidin-1-ylpropanamide;N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylamino)propanamide
CID 161061839
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609860
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802705

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).