(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide

C15H19N3O2S — CID 97095296

IUPAC(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide
SMILESCC[C@@H](S[C@H](C)c1nc(-c2ccccc2C)no1)C(N)=O
InChIInChI=1S/C15H19N3O2S/c1-4-12(13(16)19)21-10(3)15-17-14(18-20-15)11-8-6-5-7-9(11)2/h5-8,10,12H,4H2,1-3H3,(H2,16,19)/t10-,12-/m1/s1
InChIKeyKRYALCSNDKYLTO-ZYHUDNBSSA-N
MW305.40 g/mol
LogP3.10
Rot. Bonds6

About (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide

(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide (PubChem CID 97095296) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide
PubChem CID97095296
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide
SMILESCC[C@@H](S[C@H](C)c1nc(-c2ccccc2C)no1)C(N)=O
InChIInChI=1S/C15H19N3O2S/c1-4-12(13(16)19)21-10(3)15-17-14(18-20-15)11-8-6-5-7-9(11)2/h5-8,10,12H,4H2,1-3H3,(H2,16,19)/t10-,12-/m1/s1
InChIKeyKRYALCSNDKYLTO-ZYHUDNBSSA-N
XLogP3.10
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481020
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butanoic acid
CID 105352752
5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 63773018
3-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137140170
3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid
CID 119912223
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131905398
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
5-[(1S)-1-(2-methoxyethylsulfonyl)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95904217
(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 94549155
1-[(2R)-2-[(2S)-1-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 98791830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide?
The IUPAC name of (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide (CID 97095296) is (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide.
What is the SMILES notation for (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide?
The canonical SMILES for (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide is CC[C@@H](S[C@H](C)c1nc(-c2ccccc2C)no1)C(N)=O.
What is the InChIKey of (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide?
The InChIKey is KRYALCSNDKYLTO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-12(13(16)19)21-10(3)15-17-14(18-20-15)11-8-6-5-7-9(11)2/h5-8,10,12H,4H2,1-3H3,(H2,16,19)/t10-,12-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide?
(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide has a molecular weight of 305.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide is sourced from PubChem (CID 97095296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).