(5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H25FN2O3 — CID 42371674

IUPAC(5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(CC[C@@H]1CCCCO1)C(=O)[C@@H]1CC(Cc2cccc(F)c2)=NO1
InChIInChI=1S/C19H25FN2O3/c1-22(9-8-17-7-2-3-10-24-17)19(23)18-13-16(21-25-18)12-14-5-4-6-15(20)11-14/h4-6,11,17-18H,2-3,7-10,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyOQSLRNGICLTXHJ-ROUUACIJSA-N
MW348.42 g/mol
LogP2.93
Rot. Bonds6

About (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 42371674) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID42371674
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name(5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(CC[C@@H]1CCCCO1)C(=O)[C@@H]1CC(Cc2cccc(F)c2)=NO1
InChIInChI=1S/C19H25FN2O3/c1-22(9-8-17-7-2-3-10-24-17)19(23)18-13-16(21-25-18)12-14-5-4-6-15(20)11-14/h4-6,11,17-18H,2-3,7-10,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyOQSLRNGICLTXHJ-ROUUACIJSA-N
XLogP2.93
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenyl)methyl]-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45179406
3-[(3-chlorophenyl)methyl]-N-(1,4-dioxan-2-ylmethyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45200128
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45197203
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
(5S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42169616
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 110619177
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide
CID 26319225
(5R)-3-[(3-chlorophenyl)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42500129
[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 42461995

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 42371674) is (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CN(CC[C@@H]1CCCCO1)C(=O)[C@@H]1CC(Cc2cccc(F)c2)=NO1.
What is the InChIKey of (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OQSLRNGICLTXHJ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-22(9-8-17-7-2-3-10-24-17)19(23)18-13-16(21-25-18)12-14-5-4-6-15(20)11-14/h4-6,11,17-18H,2-3,7-10,12-13H2,1H3/t17-,18-/m0/s1.
What are the key properties of (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42371674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).