N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide

C18H24N2O5S — CID 5307457

IUPACN-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOCCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C18H24N2O5S/c1-13-7-4-5-8-15(13)18-20-16(14(2)25-18)11-26(22,23)12-17(21)19-9-6-10-24-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21)
InChIKeyPQLMCADHGOMGQG-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.03
Rot. Bonds9

About N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide

N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide (PubChem CID 5307457) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
PubChem CID5307457
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOCCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C18H24N2O5S/c1-13-7-4-5-8-15(13)18-20-16(14(2)25-18)11-26(22,23)12-17(21)19-9-6-10-24-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21)
InChIKeyPQLMCADHGOMGQG-UHFFFAOYSA-N
XLogP2.03
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
AD-5061
CID 9953271
N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
CID 4174238
Ethyl 4-{[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]amino}piperidine-1-carboxylate
CID 3237206
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3243297
2-[[2-(3-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]-N-tetralin-1-yl-acetamide
CID 9550784
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(2-methoxyphenyl)methyl]acetamide
CID 16007888
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfonyl}-N-[2-(4-methylphenyl)ethyl]acetamide
CID 16008049
1-[4-(2,3-Dimethylphenyl)piperazin-1-YL]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methanesulfonyl}ethan-1-one
CID 16008047
({[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfinyl)acetic acid
CID 15997868
4-[({[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]morpholine
CID 3235915
N-(3-isopropoxypropyl)-2-({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3236024

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide (CID 5307457) is N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide is COCCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The InChIKey is PQLMCADHGOMGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-13-7-4-5-8-15(13)18-20-16(14(2)25-18)11-26(22,23)12-17(21)19-9-6-10-24-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 5307457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).