4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride

C16H21ClFN3O3 — CID 120591332

IUPAC4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCc1coc(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C16H20FN3O3.ClH/c1-22-14(9-18)8-15(21)19-7-6-13-10-23-16(20-13)11-2-4-12(17)5-3-11;/h2-5,10,14H,6-9,18H2,1H3,(H,19,21);1H
InChIKeyPREIVLGDELVAID-UHFFFAOYSA-N
MW357.81 g/mol
LogP1.92
Rot. Bonds8

About 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120591332) has the molecular formula C16H21ClFN3O3 and a molecular weight of 357.81 g/mol. Its IUPAC name is 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride
PubChem CID120591332
Molecular FormulaC16H21ClFN3O3
Molecular Weight357.81 g/mol
Exact Mass357.13
IUPAC Name4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCc1coc(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C16H20FN3O3.ClH/c1-22-14(9-18)8-15(21)19-7-6-13-10-23-16(20-13)11-2-4-12(17)5-3-11;/h2-5,10,14H,6-9,18H2,1H3,(H,19,21);1H
InChIKeyPREIVLGDELVAID-UHFFFAOYSA-N
XLogP1.92
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
N-(3-amino-2-methylpropyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119998364
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455115
2-[(1S)-cyclopent-2-en-1-yl]-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 95288243
3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000027
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111711413
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104191
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235209
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56519569

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride (CID 120591332) is 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NCCc1coc(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is PREIVLGDELVAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3.ClH/c1-22-14(9-18)8-15(21)19-7-6-13-10-23-16(20-13)11-2-4-12(17)5-3-11;/h2-5,10,14H,6-9,18H2,1H3,(H,19,21);1H.
What are the key properties of 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 357.81 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 4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120591332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).