5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole

C21H22N2O2S — CID 26329784

IUPAC5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
SMILESCc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCSCC1
InChIInChI=1S/C21H22N2O2S/c1-16-20(15-23-10-12-26-13-11-23)22-21(24-16)17-6-5-9-19(14-17)25-18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3
InChIKeyQINBHHSZVUCGQW-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.99
Rot. Bonds5

About 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole

5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole (PubChem CID 26329784) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
PubChem CID26329784
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
SMILESCc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCSCC1
InChIInChI=1S/C21H22N2O2S/c1-16-20(15-23-10-12-26-13-11-23)22-21(24-16)17-6-5-9-19(14-17)25-18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3
InChIKeyQINBHHSZVUCGQW-UHFFFAOYSA-N
XLogP4.99
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N,N-dimethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 95885384
2-(3,4-dimethoxyphenyl)-5-methyl-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 25460209
N-ethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxamide
CID 70760923
3,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42566495
1-[[(3R)-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 28685190
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
4-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
CID 42415863
(3,5-dimethoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55598801
2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 56757456
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole (CID 26329784) is 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole is Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCSCC1.
What is the InChIKey of 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole?
The InChIKey is QINBHHSZVUCGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16-20(15-23-10-12-26-13-11-23)22-21(24-16)17-6-5-9-19(14-17)25-18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole?
5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole has a molecular weight of 366.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 26329784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).