(2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C22H27N3O2S — CID 7826443

IUPAC(2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1cccc(-c2nnc(S[C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)o2)c1
InChIInChI=1S/C22H27N3O2S/c1-13-4-3-5-18(6-13)20-24-25-21(27-20)28-14(2)19(26)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,26)/t14-,15?,16?,17?,22?/m1/s1
InChIKeyODTUXEMSVHTKFG-XSXQVXRUSA-N
MW397.54 g/mol
LogP4.61
Rot. Bonds5

About (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7826443) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID7826443
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name(2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1cccc(-c2nnc(S[C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)o2)c1
InChIInChI=1S/C22H27N3O2S/c1-13-4-3-5-18(6-13)20-24-25-21(27-20)28-14(2)19(26)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,26)/t14-,15?,16?,17?,22?/m1/s1
InChIKeyODTUXEMSVHTKFG-XSXQVXRUSA-N
XLogP4.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
(2S)-N-(1-cyanocyclohexyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826546
(2R)-N-carbamoyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417426
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889695
(2S)-N-(1-adamantyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 135569634
(2S)-N-(4-ethylphenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417155
(2S)-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 11917177
(2R)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 8889608
(2R)-N-(4-chlorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826483
(2S)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7826440
(2S)-N-(3-fluorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889599
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826592

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 7826443) is (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1cccc(-c2nnc(S[C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)o2)c1.
What is the InChIKey of (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is ODTUXEMSVHTKFG-XSXQVXRUSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-13-4-3-5-18(6-13)20-24-25-21(27-20)28-14(2)19(26)23-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,26)/t14-,15?,16?,17?,22?/m1/s1.
What are the key properties of (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 397.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7826443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).