N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C21H23N3O3 — CID 51205503

IUPACN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C21H23N3O3/c1-4-24(13-19(25)22-14(2)3)21(26)16-10-11-18-17(12-16)20(27-23-18)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,22,25)
InChIKeyGDTHKTIGCXQOQE-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 51205503) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID51205503
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C21H23N3O3/c1-4-24(13-19(25)22-14(2)3)21(26)16-10-11-18-17(12-16)20(27-23-18)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,22,25)
InChIKeyGDTHKTIGCXQOQE-UHFFFAOYSA-N
XLogP3.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9476685
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
(2S,3R)-3-hydroxy-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid
CID 97263051
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246
N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2,1-benzoxazole-5-carboxamide
CID 109468332
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 51087247
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 8537044
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 24529352
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60545395

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 51205503) is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is GDTHKTIGCXQOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24(13-19(25)22-14(2)3)21(26)16-10-11-18-17(12-16)20(27-23-18)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,22,25).
What are the key properties of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 51205503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).