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

C17H16FN3O2S — CID 86836130

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)s1
InChIInChI=1S/C17H16FN3O2S/c1-11-19-8-12(24-11)9-20-16(22)6-7-17-21-10-15(23-17)13-4-2-3-5-14(13)18/h2-5,8,10H,6-7,9H2,1H3,(H,20,22)
InChIKeyGXAJJBZDPLQYCB-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.49
Rot. Bonds6

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

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 86836130) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID86836130
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)s1
InChIInChI=1S/C17H16FN3O2S/c1-11-19-8-12(24-11)9-20-16(22)6-7-17-21-10-15(23-17)13-4-2-3-5-14(13)18/h2-5,8,10H,6-7,9H2,1H3,(H,20,22)
InChIKeyGXAJJBZDPLQYCB-UHFFFAOYSA-N
XLogP3.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
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3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 38740723
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 134036129
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
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3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 38530556
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 86836130) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)s1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is GXAJJBZDPLQYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11-19-8-12(24-11)9-20-16(22)6-7-17-21-10-15(23-17)13-4-2-3-5-14(13)18/h2-5,8,10H,6-7,9H2,1H3,(H,20,22).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 86836130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).