3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol

C14H16FN3O3 — CID 99825863

IUPAC3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol
SMILESCc1noc([C@@H]2COCCN2Cc2cc(O)cc(F)c2)n1
InChIInChI=1S/C14H16FN3O3/c1-9-16-14(21-17-9)13-8-20-3-2-18(13)7-10-4-11(15)6-12(19)5-10/h4-6,13,19H,2-3,7-8H2,1H3/t13-/m0/s1
InChIKeyYEDYKLDTYPIHMY-ZDUSSCGKSA-N
MW293.30 g/mol
LogP1.80
Rot. Bonds3

About 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol

3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol (PubChem CID 99825863) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol
PubChem CID99825863
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol
SMILESCc1noc([C@@H]2COCCN2Cc2cc(O)cc(F)c2)n1
InChIInChI=1S/C14H16FN3O3/c1-9-16-14(21-17-9)13-8-20-3-2-18(13)7-10-4-11(15)6-12(19)5-10/h4-6,13,19H,2-3,7-8H2,1H3/t13-/m0/s1
InChIKeyYEDYKLDTYPIHMY-ZDUSSCGKSA-N
XLogP1.80
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol with MolForge

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Related Compounds

4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126794730
4-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 91650718
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrrol-2-yl)methyl]morpholine
CID 99825829
(3S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 99777440
N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide
CID 99777442
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(2-phenyl-1H-imidazol-5-yl)methyl]morpholine
CID 99825862
(3R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 124622170
(2R)-1-(2,5-dimethylphenoxy)-3-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
CID 99714734
1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
CID 102554061
[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
CID 110202980
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
(3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344327

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol?
The IUPAC name of 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol (CID 99825863) is 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol.
What is the SMILES notation for 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol?
The canonical SMILES for 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol is Cc1noc([C@@H]2COCCN2Cc2cc(O)cc(F)c2)n1.
What is the InChIKey of 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol?
The InChIKey is YEDYKLDTYPIHMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-9-16-14(21-17-9)13-8-20-3-2-18(13)7-10-4-11(15)6-12(19)5-10/h4-6,13,19H,2-3,7-8H2,1H3/t13-/m0/s1.
What are the key properties of 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol?
3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol has a molecular weight of 293.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol is sourced from PubChem (CID 99825863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).