N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide

C17H20N2O3S — CID 72938051

IUPACN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CSc2ccccc2)on1
InChIInChI=1S/C17H20N2O3S/c1-12-7-14(22-19-12)8-13-9-21-10-16(13)18-17(20)11-23-15-5-3-2-4-6-15/h2-7,13,16H,8-11H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyMPPXEGAWLGKXFC-CJNGLKHVSA-N
MW332.42 g/mol
LogP2.45
Rot. Bonds6

About N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide (PubChem CID 72938051) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
PubChem CID72938051
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CSc2ccccc2)on1
InChIInChI=1S/C17H20N2O3S/c1-12-7-14(22-19-12)8-13-9-21-10-16(13)18-17(20)11-23-15-5-3-2-4-6-15/h2-7,13,16H,8-11H2,1H3,(H,18,20)/t13-,16+/m1/s1
InChIKeyMPPXEGAWLGKXFC-CJNGLKHVSA-N
XLogP2.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72863045
3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72860647
3-(2-methylimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72913553
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 72858551
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-quinazolin-4-yloxyacetamide
CID 72865264
3-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-oxophthalazine-1-carboxamide
CID 72927834
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 72850871
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 72920517
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
CID 72900836
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 133114989
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 137247143
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 72910431

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide (CID 72938051) is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CSc2ccccc2)on1.
What is the InChIKey of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide?
The InChIKey is MPPXEGAWLGKXFC-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-7-14(22-19-12)8-13-9-21-10-16(13)18-17(20)11-23-15-5-3-2-4-6-15/h2-7,13,16H,8-11H2,1H3,(H,18,20)/t13-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide?
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide has a molecular weight of 332.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 72938051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).