N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H21ClN4O3S — CID 119938973

IUPACN-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1nc(COc2ccc(NC(=O)CC3CSCCN3)cc2)no1.Cl
InChIInChI=1S/C16H20N4O3S.ClH/c1-11-18-15(20-23-11)9-22-14-4-2-12(3-5-14)19-16(21)8-13-10-24-7-6-17-13;/h2-5,13,17H,6-10H2,1H3,(H,19,21);1H
InChIKeyGCDRPPOKFVMKQU-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.41
Rot. Bonds6

About N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938973) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938973
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC NameN-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1nc(COc2ccc(NC(=O)CC3CSCCN3)cc2)no1.Cl
InChIInChI=1S/C16H20N4O3S.ClH/c1-11-18-15(20-23-11)9-22-14-4-2-12(3-5-14)19-16(21)8-13-10-24-7-6-17-13;/h2-5,13,17H,6-10H2,1H3,(H,19,21);1H
InChIKeyGCDRPPOKFVMKQU-UHFFFAOYSA-N
XLogP2.41
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride with MolForge

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Related Compounds

methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939633
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783689
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936367
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119783690
N-[6-(4-methylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941281
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941201

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938973) is N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1nc(COc2ccc(NC(=O)CC3CSCCN3)cc2)no1.Cl.
What is the InChIKey of N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is GCDRPPOKFVMKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S.ClH/c1-11-18-15(20-23-11)9-22-14-4-2-12(3-5-14)19-16(21)8-13-10-24-7-6-17-13;/h2-5,13,17H,6-10H2,1H3,(H,19,21);1H.
What are the key properties of N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 384.89 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).