3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

C25H29N3O5S — CID 16597439

IUPAC3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1C
InChIInChI=1S/C25H29N3O5S/c1-18-3-6-21(15-19(18)2)23-17-27-25(33-23)10-9-24(29)26-16-20-4-7-22(8-5-20)34(30,31)28-11-13-32-14-12-28/h3-8,15,17H,9-14,16H2,1-2H3,(H,26,29)
InChIKeyMYLSKZYQGHVZMP-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.23
Rot. Bonds8

About 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (PubChem CID 16597439) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
PubChem CID16597439
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1C
InChIInChI=1S/C25H29N3O5S/c1-18-3-6-21(15-19(18)2)23-17-27-25(33-23)10-9-24(29)26-16-20-4-7-22(8-5-20)34(30,31)28-11-13-32-14-12-28/h3-8,15,17H,9-14,16H2,1-2H3,(H,26,29)
InChIKeyMYLSKZYQGHVZMP-UHFFFAOYSA-N
XLogP3.23
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27862054
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide
CID 33314358
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55839411
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16594353
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
N-[(4-methylphenyl)methyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377614
3-(2-methylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27861911
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32587581
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (CID 16597439) is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1C.
What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is MYLSKZYQGHVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-18-3-6-21(15-19(18)2)23-17-27-25(33-23)10-9-24(29)26-16-20-4-7-22(8-5-20)34(30,31)28-11-13-32-14-12-28/h3-8,15,17H,9-14,16H2,1-2H3,(H,26,29).
What are the key properties of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 483.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 16597439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).