2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C17H23N3O3 — CID 166219948

IUPAC2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N(C)CCCCO)no1
InChIInChI=1S/C17H23N3O3/c1-13-12-15(19-23-13)18-17(22)16(14-8-4-3-5-9-14)20(2)10-6-7-11-21/h3-5,8-9,12,16,21H,6-7,10-11H2,1-2H3,(H,18,19,22)
InChIKeyFZKQUHWKAVFTJS-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.37
Rot. Bonds8

About 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 166219948) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID166219948
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)N(C)CCCCO)no1
InChIInChI=1S/C17H23N3O3/c1-13-12-15(19-23-13)18-17(22)16(14-8-4-3-5-9-14)20(2)10-6-7-11-21/h3-5,8-9,12,16,21H,6-7,10-11H2,1-2H3,(H,18,19,22)
InChIKeyFZKQUHWKAVFTJS-UHFFFAOYSA-N
XLogP2.37
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 56814559
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 38171330
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34710983
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-phenylacetamide
CID 40898420
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide
CID 16576213
ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate
CID 107200700
1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101864
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47021762

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 166219948) is 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is Cc1cc(NC(=O)C(c2ccccc2)N(C)CCCCO)no1.
What is the InChIKey of 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is FZKQUHWKAVFTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-12-15(19-23-13)18-17(22)16(14-8-4-3-5-9-14)20(2)10-6-7-11-21/h3-5,8-9,12,16,21H,6-7,10-11H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 317.39 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 166219948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).