N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide

C25H30N2O3 — CID 42630922

IUPACN-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide
SMILESCCCCCCCCNC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C25H30N2O3/c1-2-3-4-5-6-13-18-26-22(28)19-27-23(20-14-9-7-10-15-20)24(30-25(27)29)21-16-11-8-12-17-21/h7-12,14-17H,2-6,13,18-19H2,1H3,(H,26,28)
InChIKeyREXMEDPDXKMKEC-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.25
Rot. Bonds11

About N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide

N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide (PubChem CID 42630922) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide
PubChem CID42630922
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide
SMILESCCCCCCCCNC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C25H30N2O3/c1-2-3-4-5-6-13-18-26-22(28)19-27-23(20-14-9-7-10-15-20)24(30-25(27)29)21-16-11-8-12-17-21/h7-12,14-17H,2-6,13,18-19H2,1H3,(H,26,28)
InChIKeyREXMEDPDXKMKEC-UHFFFAOYSA-N
XLogP5.25
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.25
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

benzyl N-[1-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate
CID 4877695
{[Methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-carbamoyl]-methyl}-carbamic acid benzyl ester
CID 44389971
benzyl N-[(2S)-1-[methyl-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 44389985
4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162663858
(S)-Benzyl (1-(benzylamino)-3-methyl-1-oxobutan-2-yl)carbamate
CID 2363706
Benzyl {2-oxo-2-[(2-phenylethyl)amino]ethyl}carbamate
CID 3101230
Benzyl N-[(benzylcarbamoyl)methyl]carbamate
CID 3101231
Z-DL-Phg-NH2
CID 275947
3-Methyl-4,5-diphenyl-1,3-oxazol-2(3H)-one
CID 12345609
Benzyl 2-{[(1-phenylethyl)amino]carbonyl}pyrrolidine-1-carboxylate
CID 3343780
benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 4320436
benzyl N-[(2S)-1-[[(2R,6S)-1-methyl-7-oxo-2-phenyl-5,6-dihydro-2H-azepin-6-yl]amino]-1-oxopropan-2-yl]carbamate
CID 122184820

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide?
The IUPAC name of N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide (CID 42630922) is N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide.
What is the SMILES notation for N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide?
The canonical SMILES for N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide is CCCCCCCCNC(=O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O.
What is the InChIKey of N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide?
The InChIKey is REXMEDPDXKMKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-2-3-4-5-6-13-18-26-22(28)19-27-23(20-14-9-7-10-15-20)24(30-25(27)29)21-16-11-8-12-17-21/h7-12,14-17H,2-6,13,18-19H2,1H3,(H,26,28).
What are the key properties of N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide?
N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetamide is sourced from PubChem (CID 42630922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).