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

C18H18N2O2 — CID 21211482

IUPACN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccc(CC)cc3)nc2c1
InChIInChI=1S/C18H18N2O2/c1-3-12-5-7-13(8-6-12)18-20-15-11-14(19-17(21)4-2)9-10-16(15)22-18/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyGHYPPTGSDADOOM-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.41
Rot. Bonds4

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

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 21211482) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID21211482
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccc(CC)cc3)nc2c1
InChIInChI=1S/C18H18N2O2/c1-3-12-5-7-13(8-6-12)18-20-15-11-14(19-17(21)4-2)9-10-16(15)22-18/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyGHYPPTGSDADOOM-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117086
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013323
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 2840256
3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1497034
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308147
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]propanamide?
The IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide (CID 21211482) is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide is CCC(=O)Nc1ccc2oc(-c3ccc(CC)cc3)nc2c1.
What is the InChIKey of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is GHYPPTGSDADOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12-5-7-13(8-6-12)18-20-15-11-14(19-17(21)4-2)9-10-16(15)22-18/h5-11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide?
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 294.35 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 21211482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).