(2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H23N5O4S — CID 8935262

IUPAC(2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)o2)c1
InChIInChI=1S/C19H23N5O4S/c1-10-16(11(2)24(4)23-10)20-17(25)12(3)29-19-22-21-18(28-19)13-7-14(26-5)9-15(8-13)27-6/h7-9,12H,1-6H3,(H,20,25)/t12-/m0/s1
InChIKeyZHCNZCWBKGQILJ-LBPRGKRZSA-N
MW417.49 g/mol
LogP3.22
Rot. Bonds7

About (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 8935262) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID8935262
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name(2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)o2)c1
InChIInChI=1S/C19H23N5O4S/c1-10-16(11(2)24(4)23-10)20-17(25)12(3)29-19-22-21-18(28-19)13-7-14(26-5)9-15(8-13)27-6/h7-9,12H,1-6H3,(H,20,25)/t12-/m0/s1
InChIKeyZHCNZCWBKGQILJ-LBPRGKRZSA-N
XLogP3.22
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8752448
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8748466
N-carbamoyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4804901
methyl (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7683539
N-(3,5-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16541787
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 135778026
(2R)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8942020
(2R)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 42443716
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7683520
(2R)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 7683508
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2464684
(2R)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 7683478

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 8935262) is (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)o2)c1.
What is the InChIKey of (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ZHCNZCWBKGQILJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-10-16(11(2)24(4)23-10)20-17(25)12(3)29-19-22-21-18(28-19)13-7-14(26-5)9-15(8-13)27-6/h7-9,12H,1-6H3,(H,20,25)/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 417.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 8935262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).