N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C14H17N3O2 — CID 44602317

IUPACN-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H17N3O2/c1-17(2)9-8-15-14(18)12-10-13(19-16-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyWZMSXYYEHZMSRY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 44602317) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID44602317
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H17N3O2/c1-17(2)9-8-15-14(18)12-10-13(19-16-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyWZMSXYYEHZMSRY-UHFFFAOYSA-N
XLogP1.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503128
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121137865
N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 139676207
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140630
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide
CID 24669082

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 44602317) is N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is WZMSXYYEHZMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(2)9-8-15-14(18)12-10-13(19-16-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44602317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).