(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide

C11H18N2O2S — CID 52581850

IUPAC(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)Sc1nc(C)c(C)o1
InChIInChI=1S/C11H18N2O2S/c1-5-6-12-10(14)9(4)16-11-13-7(2)8(3)15-11/h9H,5-6H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyHBHAUOODULNNAI-VIFPVBQESA-N
MW242.34 g/mol
LogP2.30
Rot. Bonds5

About (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide

(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide (PubChem CID 52581850) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
PubChem CID52581850
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)Sc1nc(C)c(C)o1
InChIInChI=1S/C11H18N2O2S/c1-5-6-12-10(14)9(4)16-11-13-7(2)8(3)15-11/h9H,5-6H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyHBHAUOODULNNAI-VIFPVBQESA-N
XLogP2.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 56736123
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47025888
2,2,2-trifluoroethyl N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]carbamate
CID 56826249
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917028
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106372988
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4,4-trifluorobutan-2-amine
CID 106922177
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,3,3-trifluoropropan-1-amine
CID 106922204
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
CID 106922322
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4,4-trifluorobutan-1-amine
CID 106923886
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
CID 106923913
N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-2,2,2-trifluoroethanamine
CID 106925967
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113893957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide (CID 52581850) is (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide is CCCNC(=O)[C@H](C)Sc1nc(C)c(C)o1.
What is the InChIKey of (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide?
The InChIKey is HBHAUOODULNNAI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-6-12-10(14)9(4)16-11-13-7(2)8(3)15-11/h9H,5-6H2,1-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide?
(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide has a molecular weight of 242.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide is sourced from PubChem (CID 52581850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).