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

C15H18N2O4S — CID 56827638

IUPACN-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
SMILESCOc1ccccc1NC(=O)C(C)S(=O)Cc1cc(C)on1
InChIInChI=1S/C15H18N2O4S/c1-10-8-12(17-21-10)9-22(19)11(2)15(18)16-13-6-4-5-7-14(13)20-3/h4-8,11H,9H2,1-3H3,(H,16,18)
InChIKeyNGUMONLEOZJIKB-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.27
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide (PubChem CID 56827638) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
PubChem CID56827638
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
SMILESCOc1ccccc1NC(=O)C(C)S(=O)Cc1cc(C)on1
InChIInChI=1S/C15H18N2O4S/c1-10-8-12(17-21-10)9-22(19)11(2)15(18)16-13-6-4-5-7-14(13)20-3/h4-8,11H,9H2,1-3H3,(H,16,18)
InChIKeyNGUMONLEOZJIKB-UHFFFAOYSA-N
XLogP2.27
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 56827552
(2S)-2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(2-methoxyphenyl)propanamide
CID 95599547
(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95593592
(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
CID 95062178
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 86931322
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
(2R)-N-(cyclohexylmethyl)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95599700
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7952600
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide (CID 56827638) is N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide is COc1ccccc1NC(=O)C(C)S(=O)Cc1cc(C)on1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
The InChIKey is NGUMONLEOZJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-8-12(17-21-10)9-22(19)11(2)15(18)16-13-6-4-5-7-14(13)20-3/h4-8,11H,9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide?
N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide has a molecular weight of 322.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 56827638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).