N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide

C20H21N3O3S — CID 67706926

IUPACN-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide
SMILESCN(N)C(=O)CSc1ccc(OCCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-23(21)19(24)14-27-18-9-7-17(8-10-18)25-12-11-16-13-26-20(22-16)15-5-3-2-4-6-15/h2-10,13H,11-12,14,21H2,1H3
InChIKeyWPJMODGNOKSMNX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.39
Rot. Bonds8

About N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide

N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide (PubChem CID 67706926) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide.

Molecular Properties

Compound NameN-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide
PubChem CID67706926
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide
SMILESCN(N)C(=O)CSc1ccc(OCCc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-23(21)19(24)14-27-18-9-7-17(8-10-18)25-12-11-16-13-26-20(22-16)15-5-3-2-4-6-15/h2-10,13H,11-12,14,21H2,1H3
InChIKeyWPJMODGNOKSMNX-UHFFFAOYSA-N
XLogP3.39
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]-2-phenylacetic acid
CID 142216313
3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanehydrazide
CID 67706985
2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone
CID 59093125
3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55568894
[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl methanimidothioate
CID 142046622
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 86898266
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55775493
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
CID 23589987
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide?
The IUPAC name of N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide (CID 67706926) is N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide.
What is the SMILES notation for N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide?
The canonical SMILES for N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide is CN(N)C(=O)CSc1ccc(OCCc2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide?
The InChIKey is WPJMODGNOKSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23(21)19(24)14-27-18-9-7-17(8-10-18)25-12-11-16-13-26-20(22-16)15-5-3-2-4-6-15/h2-10,13H,11-12,14,21H2,1H3.
What are the key properties of N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide?
N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide has a molecular weight of 383.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide is sourced from PubChem (CID 67706926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).