(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C19H20FN5O2 — CID 96579384

IUPAC(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H20FN5O2/c1-24(2)17(13-4-6-15(20)7-5-13)19(26)25(3)12-16-22-18(23-27-16)14-8-10-21-11-9-14/h4-11,17H,12H2,1-3H3/t17-/m0/s1
InChIKeyFPHFAURJWGSJGL-KRWDZBQOSA-N
MW369.40 g/mol
LogP2.53
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 96579384) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID96579384
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H](c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H20FN5O2/c1-24(2)17(13-4-6-15(20)7-5-13)19(26)25(3)12-16-22-18(23-27-16)14-8-10-21-11-9-14/h4-11,17H,12H2,1-3H3/t17-/m0/s1
InChIKeyFPHFAURJWGSJGL-KRWDZBQOSA-N
XLogP2.53
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97153527
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 97148008
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 97267392
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70773837
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenoxy)-N-methylbutanamide
CID 132662134
3-(4-fluorophenyl)-1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6462162
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 97197907
3-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100548168
N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70760900
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122558222
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
CID 6473072
4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 42540179

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 96579384) is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H](c1ccc(F)cc1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is FPHFAURJWGSJGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-24(2)17(13-4-6-15(20)7-5-13)19(26)25(3)12-16-22-18(23-27-16)14-8-10-21-11-9-14/h4-11,17H,12H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 96579384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).