(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide

C17H21N3O3 — CID 40693368

IUPAC(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3/c1-12(16(21)19-14-5-3-2-4-6-14)23-15-9-7-13(8-10-15)17-20-18-11-22-17/h7-12,14H,2-6H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeySGGWZKHWHQLGEJ-LBPRGKRZSA-N
MW315.37 g/mol
LogP2.95
Rot. Bonds5

About (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide

(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (PubChem CID 40693368) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
PubChem CID40693368
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O3/c1-12(16(21)19-14-5-3-2-4-6-14)23-15-9-7-13(8-10-15)17-20-18-11-22-17/h7-12,14H,2-6H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeySGGWZKHWHQLGEJ-LBPRGKRZSA-N
XLogP2.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17409257
(2S)-N-cyclopropyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528191
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908205
(2R)-1-(azepan-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 40844528
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
N-cyclopropyl-2-(4-fluorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 16589195
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528203
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908176

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (CID 40693368) is (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The InChIKey is SGGWZKHWHQLGEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(16(21)19-14-5-3-2-4-6-14)23-15-9-7-13(8-10-15)17-20-18-11-22-17/h7-12,14H,2-6H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is sourced from PubChem (CID 40693368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).