N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C23H25N3O3 — CID 86876016

IUPACN-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H25N3O3/c1-26(15-9-8-12-18-10-4-2-5-11-18)22(27)17-24-23(28)20-16-21(29-25-20)19-13-6-3-7-14-19/h2-7,10-11,13-14,16H,8-9,12,15,17H2,1H3,(H,24,28)
InChIKeyFHJOOUCASIQIKH-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.55
Rot. Bonds9

About N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 86876016) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID86876016
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H25N3O3/c1-26(15-9-8-12-18-10-4-2-5-11-18)22(27)17-24-23(28)20-16-21(29-25-20)19-13-6-3-7-14-19/h2-7,10-11,13-14,16H,8-9,12,15,17H2,1H3,(H,24,28)
InChIKeyFHJOOUCASIQIKH-UHFFFAOYSA-N
XLogP3.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.55
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

N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 55707431
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[3-[4-(methanesulfonamido)phenyl]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619652
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121137865
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 86876016) is N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is CN(CCCCc1ccccc1)C(=O)CNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is FHJOOUCASIQIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26(15-9-8-12-18-10-4-2-5-11-18)22(27)17-24-23(28)20-16-21(29-25-20)19-13-6-3-7-14-19/h2-7,10-11,13-14,16H,8-9,12,15,17H2,1H3,(H,24,28).
What are the key properties of N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86876016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).