sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid

C19H26NNaO4S — CID 173167574

IUPACsodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOCCCCCSCC(=O)O.[H-].[Na+]
InChIInChI=1S/C19H25NO4S.Na.H/c1-15-17(20-19(24-15)16-8-4-2-5-9-16)10-12-23-11-6-3-7-13-25-14-18(21)22;;/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyCPJVIKYGTVKKEX-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.31
Rot. Bonds12

About sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid

sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid (PubChem CID 173167574) has the molecular formula C19H26NNaO4S and a molecular weight of 387.48 g/mol. Its IUPAC name is sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid.

Molecular Properties

Compound Namesodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid
PubChem CID173167574
Molecular FormulaC19H26NNaO4S
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC Namesodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOCCCCCSCC(=O)O.[H-].[Na+]
InChIInChI=1S/C19H25NO4S.Na.H/c1-15-17(20-19(24-15)16-8-4-2-5-9-16)10-12-23-11-6-3-7-13-25-14-18(21)22;;/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyCPJVIKYGTVKKEX-UHFFFAOYSA-N
XLogP1.31
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methylsulfanyl]acetic acid
CID 22169888
methyl 2-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methylsulfanyl]acetate
CID 58859472
N-(2-methoxyethyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110647568
4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propylsulfanyl]benzaldehyde
CID 19013418
4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 91578834
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid
CID 10249871
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
4-(5-bromopentyl)-5-methyl-2-phenyl-1,3-oxazole;5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)pentan-1-ol
CID 159710828
1-(4-acetylpiperazin-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110647873
1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110649497
3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979220

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid?
The IUPAC name of sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid (CID 173167574) is sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid.
What is the SMILES notation for sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid?
The canonical SMILES for sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid is Cc1oc(-c2ccccc2)nc1CCOCCCCCSCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid?
The InChIKey is CPJVIKYGTVKKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S.Na.H/c1-15-17(20-19(24-15)16-8-4-2-5-9-16)10-12-23-11-6-3-7-13-25-14-18(21)22;;/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,21,22);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid?
sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid has a molecular weight of 387.48 g/mol, XLogP of 1.31, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid is sourced from PubChem (CID 173167574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).