5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide

C20H27N3O3 — CID 131991756

IUPAC5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CC(C)(C)C(=O)NCCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H27N3O3/c1-14(2)13-20(3,4)19(25)22-11-10-21-18(24)16-12-17(26-23-16)15-8-6-5-7-9-15/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyZZTRCNQGGWRFSO-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.26
Rot. Bonds8

About 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 131991756) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID131991756
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CC(C)(C)C(=O)NCCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H27N3O3/c1-14(2)13-20(3,4)19(25)22-11-10-21-18(24)16-12-17(26-23-16)15-8-6-5-7-9-15/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyZZTRCNQGGWRFSO-UHFFFAOYSA-N
XLogP3.26
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
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-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
CID 131991833
5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 46087322
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
N-[2-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118367784
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119606599

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide (CID 131991756) is 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide is CC(C)CC(C)(C)C(=O)NCCNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZZTRCNQGGWRFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)13-20(3,4)19(25)22-11-10-21-18(24)16-12-17(26-23-16)15-8-6-5-7-9-15/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131991756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).