N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide

C21H21FN2O3 — CID 110641138

IUPACN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CCNC(=O)CCOc1ccccc1
InChIInChI=1S/C21H21FN2O3/c1-15-19(24-21(27-15)16-7-9-17(22)10-8-16)11-13-23-20(25)12-14-26-18-5-3-2-4-6-18/h2-10H,11-14H2,1H3,(H,23,25)
InChIKeyODUXJINCKWISGB-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.92
Rot. Bonds8

About N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide

N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide (PubChem CID 110641138) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
PubChem CID110641138
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CCNC(=O)CCOc1ccccc1
InChIInChI=1S/C21H21FN2O3/c1-15-19(24-21(27-15)16-7-9-17(22)10-8-16)11-13-23-20(25)12-14-26-18-5-3-2-4-6-18/h2-10H,11-14H2,1H3,(H,23,25)
InChIKeyODUXJINCKWISGB-UHFFFAOYSA-N
XLogP3.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide
CID 110641153
N-(2-methoxyethyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110647568
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide
CID 110415136
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 11656523
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
2-[(4-fluorophenyl)methylamino]-3-[4-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 22337545
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993396

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide (CID 110641138) is N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide is Cc1oc(-c2ccc(F)cc2)nc1CCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide?
The InChIKey is ODUXJINCKWISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-15-19(24-21(27-15)16-7-9-17(22)10-8-16)11-13-23-20(25)12-14-26-18-5-3-2-4-6-18/h2-10H,11-14H2,1H3,(H,23,25).
What are the key properties of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide?
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide has a molecular weight of 368.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110641138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).