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

C18H16ClN3O3 — CID 8851774

IUPAC(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-12(17(23)20-10-14-4-2-3-5-16(14)19)25-15-8-6-13(7-9-15)18-22-21-11-24-18/h2-9,11-12H,10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyGVVHYNFHJSCQSM-LBPRGKRZSA-N
MW357.80 g/mol
LogP3.47
Rot. Bonds6

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

(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (PubChem CID 8851774) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
PubChem CID8851774
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-12(17(23)20-10-14-4-2-3-5-16(14)19)25-15-8-6-13(7-9-15)18-22-21-11-24-18/h2-9,11-12H,10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyGVVHYNFHJSCQSM-LBPRGKRZSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-phenylphenoxy)propanamide
CID 17194172
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17490684
N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
CID 24511812
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(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
2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole
CID 8536931
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2S)-N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 40693368
N-cyclohexyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17409257
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide (CID 8851774) is (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
The InChIKey is GVVHYNFHJSCQSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-12(17(23)20-10-14-4-2-3-5-16(14)19)25-15-8-6-13(7-9-15)18-22-21-11-24-18/h2-9,11-12H,10H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide?
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide has a molecular weight of 357.80 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide is sourced from PubChem (CID 8851774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).