2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C14H16FN3O2 — CID 94018256

IUPAC2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN[C@@H](C)c2cccc(F)c2)on1
InChIInChI=1S/C14H16FN3O2/c1-9-6-14(20-18-9)17-13(19)8-16-10(2)11-4-3-5-12(15)7-11/h3-7,10,16H,8H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyRDBJWXNNODVGQL-JTQLQIEISA-N
MW277.30 g/mol
LogP2.41
Rot. Bonds5

About 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 94018256) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID94018256
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN[C@@H](C)c2cccc(F)c2)on1
InChIInChI=1S/C14H16FN3O2/c1-9-6-14(20-18-9)17-13(19)8-16-10(2)11-4-3-5-12(15)7-11/h3-7,10,16H,8H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyRDBJWXNNODVGQL-JTQLQIEISA-N
XLogP2.41
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31673888
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
N-(2-chlorophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352559
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 9345947
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074869
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 41075466

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 94018256) is 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN[C@@H](C)c2cccc(F)c2)on1.
What is the InChIKey of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is RDBJWXNNODVGQL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-6-14(20-18-9)17-13(19)8-16-10(2)11-4-3-5-12(15)7-11/h3-7,10,16H,8H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 94018256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).