N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide

C14H16FN3O2 — CID 68980372

IUPACN-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1ncco1
InChIInChI=1S/C14H16FN3O2/c1-16-9-13(19)18-12(14-17-6-7-20-14)8-10-2-4-11(15)5-3-10/h2-7,12,16H,8-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyNXXDFXHQMFRRBE-LBPRGKRZSA-N
MW277.30 g/mol
LogP1.43
Rot. Bonds6

About N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide

N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide (PubChem CID 68980372) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide
PubChem CID68980372
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1ncco1
InChIInChI=1S/C14H16FN3O2/c1-16-9-13(19)18-12(14-17-6-7-20-14)8-10-2-4-11(15)5-3-10/h2-7,12,16H,8-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyNXXDFXHQMFRRBE-LBPRGKRZSA-N
XLogP1.43
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxazolemethyl)milnacipran
CID 44454825
1-(Oxazol-2-yl)-7-phenylheptan-1-one
CID 11991808
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CID 44339567
2-acetamido-N-benzyl-2-(1,3-oxazol-2-yl)acetamide
CID 14978591
N-[4-[(4-tert-butylphenyl)methylamino]butyl]-8-(1,3-oxazol-2-yl)-8-oxooctanamide
CID 24883414
2-Benzyloxazole
CID 5323667
4,4-difluoro-N-[(2R)-1-[[(2R)-4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 176455818
N,N-dimethyl-3-[[1-(1,3-oxazol-2-yl)-2-phenylethyl]carbamoylamino]cyclohexane-1-carboxamide
CID 132310722
1-[(1S,3R)-3-cyclopropylcyclohexyl]-3-[1-(1,3-oxazol-2-yl)-2-phenylethyl]urea
CID 164630757
1-[(1S,3R)-3-cyanocyclopentyl]-3-[1-(1,3-oxazol-2-yl)-2-phenylethyl]urea
CID 164639051
2-[[3-(Trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 20392490
2-Fluoro-7-hydroxy-2-methyl-5-(1,3-oxazol-2-yl)-9-phenylnonanamide
CID 23439299

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide (CID 68980372) is N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide is CNCC(=O)N[C@@H](Cc1ccc(F)cc1)c1ncco1.
What is the InChIKey of N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide?
The InChIKey is NXXDFXHQMFRRBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-16-9-13(19)18-12(14-17-6-7-20-14)8-10-2-4-11(15)5-3-10/h2-7,12,16H,8-9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide?
N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-fluorophenyl)-1-(1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 68980372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).