3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide

C17H21FN2O4 — CID 111110980

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O4/c1-11-16(12(2)24-20-11)7-8-17(22)19-9-14(21)10-23-15-5-3-13(18)4-6-15/h3-6,14,21H,7-10H2,1-2H3,(H,19,22)
InChIKeyDVGCOAIDJMJCRF-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.92
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide (PubChem CID 111110980) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
PubChem CID111110980
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O4/c1-11-16(12(2)24-20-11)7-8-17(22)19-9-14(21)10-23-15-5-3-13(18)4-6-15/h3-6,14,21H,7-10H2,1-2H3,(H,19,22)
InChIKeyDVGCOAIDJMJCRF-UHFFFAOYSA-N
XLogP1.92
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 110921959
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111110946
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232145
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-3-phenoxypropyl)propanamide
CID 42959726
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 31974696
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
2-(2,6-dimethylanilino)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111565418
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide (CID 111110980) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide is Cc1noc(C)c1CCC(=O)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide?
The InChIKey is DVGCOAIDJMJCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-11-16(12(2)24-20-11)7-8-17(22)19-9-14(21)10-23-15-5-3-13(18)4-6-15/h3-6,14,21H,7-10H2,1-2H3,(H,19,22).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide has a molecular weight of 336.36 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 111110980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).