N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide

C25H24N2O3 — CID 30308147

IUPACN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccccc4)ccc3o2)cc1
InChIInChI=1S/C25H24N2O3/c1-4-17-10-12-18(13-11-17)23-27-21-16-19(14-15-22(21)29-23)26-24(28)25(2,3)30-20-8-6-5-7-9-20/h5-16H,4H2,1-3H3,(H,26,28)
InChIKeyOBEGLPFCBZDNCA-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.85
Rot. Bonds6

About N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide (PubChem CID 30308147) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
PubChem CID30308147
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccccc4)ccc3o2)cc1
InChIInChI=1S/C25H24N2O3/c1-4-17-10-12-18(13-11-17)23-27-21-16-19(14-15-22(21)29-23)26-24(28)25(2,3)30-20-8-6-5-7-9-20/h5-16H,4H2,1-3H3,(H,26,28)
InChIKeyOBEGLPFCBZDNCA-UHFFFAOYSA-N
XLogP5.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 30308084
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
2-(4-bromophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 17098762
2-(4-chlorophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 1256741
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308293
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17274732
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17110968
2-(4-bromophenoxy)-2-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17313544
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide (CID 30308147) is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide is CCc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccccc4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide?
The InChIKey is OBEGLPFCBZDNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-4-17-10-12-18(13-11-17)23-27-21-16-19(14-15-22(21)29-23)26-24(28)25(2,3)30-20-8-6-5-7-9-20/h5-16H,4H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide?
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide has a molecular weight of 400.48 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).