(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide

C12H20N2O3S — CID 95593592

IUPAC(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
SMILESCc1cc(C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C)no1
InChIInChI=1S/C12H20N2O3S/c1-8-6-10(14-17-8)7-18(16)9(2)11(15)13-12(3,4)5/h6,9H,7H2,1-5H3,(H,13,15)/t9-,18-/m1/s1
InChIKeySKDXUMLZQCTAID-DYBLOJMWSA-N
MW272.37 g/mol
LogP1.53
Rot. Bonds4

About (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide

(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide (PubChem CID 95593592) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
PubChem CID95593592
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
SMILESCc1cc(C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C)no1
InChIInChI=1S/C12H20N2O3S/c1-8-6-10(14-17-8)7-18(16)9(2)11(15)13-12(3,4)5/h6,9H,7H2,1-5H3,(H,13,15)/t9-,18-/m1/s1
InChIKeySKDXUMLZQCTAID-DYBLOJMWSA-N
XLogP1.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95599700
(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
CID 95062178
N-tert-butyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 56808147
N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 56827638
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95593604
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
3-[[(S)-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]sulfinyl]methyl]-5-methyl-1,2-oxazole
CID 97031098
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 95571839
2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51076787
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide (CID 95593592) is (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide is Cc1cc(C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C)no1.
What is the InChIKey of (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The InChIKey is SKDXUMLZQCTAID-DYBLOJMWSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8-6-10(14-17-8)7-18(16)9(2)11(15)13-12(3,4)5/h6,9H,7H2,1-5H3,(H,13,15)/t9-,18-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide has a molecular weight of 272.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 95593592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).