N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide

C19H25N3O2S — CID 119938140

IUPACN-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)CC1CSCCN1
InChIInChI=1S/C19H25N3O2S/c1-22(19(23)12-16-14-25-11-9-20-16)10-5-8-17-13-18(21-24-17)15-6-3-2-4-7-15/h2-4,6-7,13,16,20H,5,8-12,14H2,1H3
InChIKeyDAPSXFTUWPMTIS-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.83
Rot. Bonds7

About N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide

N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938140) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938140
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCN(CCCc1cc(-c2ccccc2)no1)C(=O)CC1CSCCN1
InChIInChI=1S/C19H25N3O2S/c1-22(19(23)12-16-14-25-11-9-20-16)10-5-8-17-13-18(21-24-17)15-6-3-2-4-7-15/h2-4,6-7,13,16,20H,5,8-12,14H2,1H3
InChIKeyDAPSXFTUWPMTIS-UHFFFAOYSA-N
XLogP2.83
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
CID 97185208
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
CID 119314286
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
CID 51106001
4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide
CID 120628071
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
CID 119314301

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide (CID 119938140) is N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide is CN(CCCc1cc(-c2ccccc2)no1)C(=O)CC1CSCCN1.
What is the InChIKey of N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is DAPSXFTUWPMTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-22(19(23)12-16-14-25-11-9-20-16)10-5-8-17-13-18(21-24-17)15-6-3-2-4-7-15/h2-4,6-7,13,16,20H,5,8-12,14H2,1H3.
What are the key properties of N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide?
N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 359.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).