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

C22H23FN2O3 — CID 110641153

IUPACN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCc2nc(-c3ccc(F)cc3)oc2C)c1
InChIInChI=1S/C22H23FN2O3/c1-15-20(25-22(28-15)17-7-9-18(23)10-8-17)12-13-24-21(26)11-6-16-4-3-5-19(14-16)27-2/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,24,26)
InChIKeyFMLRAQOSJLGPDY-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.09
Rot. Bonds8

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

N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 110641153) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide
PubChem CID110641153
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCc2nc(-c3ccc(F)cc3)oc2C)c1
InChIInChI=1S/C22H23FN2O3/c1-15-20(25-22(28-15)17-7-9-18(23)10-8-17)12-13-24-21(26)11-6-16-4-3-5-19(14-16)27-2/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,24,26)
InChIKeyFMLRAQOSJLGPDY-UHFFFAOYSA-N
XLogP4.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.09
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-methoxybenzamide
CID 110415136
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-phenoxypropanamide
CID 110641138
3-methoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415245
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
2,6-dimethoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641191
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
CID 110641185
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate
CID 110415278
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide (CID 110641153) is N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCCc2nc(-c3ccc(F)cc3)oc2C)c1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is FMLRAQOSJLGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-15-20(25-22(28-15)17-7-9-18(23)10-8-17)12-13-24-21(26)11-6-16-4-3-5-19(14-16)27-2/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide?
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 382.44 g/mol, XLogP of 4.09, 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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110641153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).