(2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide

C17H22FN5O2 — CID 97018948

IUPAC(2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide
SMILESCC(C)c1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C17H22FN5O2/c1-10(2)16-20-17(22-21-16)13-9-23(7-8-25-13)14(15(19)24)11-3-5-12(18)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3,(H2,19,24)(H,20,21,22)/t13-,14-/m0/s1
InChIKeyJGWMLZNJDZDMLX-KBPBESRZSA-N
MW347.39 g/mol
LogP1.67
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide

(2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide (PubChem CID 97018948) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide
PubChem CID97018948
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name(2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide
SMILESCC(C)c1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C17H22FN5O2/c1-10(2)16-20-17(22-21-16)13-9-23(7-8-25-13)14(15(19)24)11-3-5-12(18)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3,(H2,19,24)(H,20,21,22)/t13-,14-/m0/s1
InChIKeyJGWMLZNJDZDMLX-KBPBESRZSA-N
XLogP1.67
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 100870601
2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752
4-[1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]benzonitrile
CID 71928068
4-[(1S)-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]benzonitrile
CID 96512401
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
CID 71872317
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511678
[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97018940
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511664
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 95276667
4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 155948624
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide
CID 96510622
2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96512700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide (CID 97018948) is (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide is CC(C)c1n[nH]c([C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide?
The InChIKey is JGWMLZNJDZDMLX-KBPBESRZSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-10(2)16-20-17(22-21-16)13-9-23(7-8-25-13)14(15(19)24)11-3-5-12(18)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3,(H2,19,24)(H,20,21,22)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide?
(2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]acetamide is sourced from PubChem (CID 97018948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).