2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide

C23H25FN2O3 — CID 110629981

IUPAC2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(C)(O)c3ccc(F)cc3)c(C)o2)cc1
InChIInChI=1S/C23H25FN2O3/c1-4-16-5-7-17(8-6-16)22-26-20(15(2)29-22)13-21(27)25-14-23(3,28)18-9-11-19(24)12-10-18/h5-12,28H,4,13-14H2,1-3H3,(H,25,27)
InChIKeyHALYHODTONVDQN-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.92
Rot. Bonds7

About 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide

2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide (PubChem CID 110629981) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
PubChem CID110629981
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(C)(O)c3ccc(F)cc3)c(C)o2)cc1
InChIInChI=1S/C23H25FN2O3/c1-4-16-5-7-17(8-6-16)22-26-20(15(2)29-22)13-21(27)25-14-23(3,28)18-9-11-19(24)12-10-18/h5-12,28H,4,13-14H2,1-3H3,(H,25,27)
InChIKeyHALYHODTONVDQN-UHFFFAOYSA-N
XLogP3.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110406185
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 110371830
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110630679
N-[(4-fluorophenyl)methyl]-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371882
N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
CID 110291633
N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110614696
N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620881
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110632372
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 110371827

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide (CID 110629981) is 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide is CCc1ccc(-c2nc(CC(=O)NCC(C)(O)c3ccc(F)cc3)c(C)o2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide?
The InChIKey is HALYHODTONVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-4-16-5-7-17(8-6-16)22-26-20(15(2)29-22)13-21(27)25-14-23(3,28)18-9-11-19(24)12-10-18/h5-12,28H,4,13-14H2,1-3H3,(H,25,27).
What are the key properties of 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide?
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide has a molecular weight of 396.46 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 110629981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).