4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C17H19F2N3O2 — CID 146138688

IUPAC4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2COCCN2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)o1
InChIInChI=1S/C17H19F2N3O2/c1-11-20-21-16(24-11)14-10-23-8-7-22(14)9-13-15(17(13,18)19)12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/t13-,14?,15-/m1/s1
InChIKeyUKQPDMKQCXPUGQ-GIJJTGMTSA-N
MW335.35 g/mol
LogP2.80
Rot. Bonds4

About 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 146138688) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID146138688
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2COCCN2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)o1
InChIInChI=1S/C17H19F2N3O2/c1-11-20-21-16(24-11)14-10-23-8-7-22(14)9-13-15(17(13,18)19)12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/t13-,14?,15-/m1/s1
InChIKeyUKQPDMKQCXPUGQ-GIJJTGMTSA-N
XLogP2.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
CID 167840558
(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129473486
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164
2-(2,6-dimethylphenoxy)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128967184
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327133
3-indol-1-yl-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129472880
(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129347380
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472115
[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129328005
2H-chromen-3-yl-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128996736
1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 129326628

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 146138688) is 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc(C2COCCN2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)o1.
What is the InChIKey of 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is UKQPDMKQCXPUGQ-GIJJTGMTSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-11-20-21-16(24-11)14-10-23-8-7-22(14)9-13-15(17(13,18)19)12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/t13-,14?,15-/m1/s1.
What are the key properties of 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 335.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 146138688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).