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

C17H23ClN4O3S — CID 119939242

IUPACN-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1C(NC(=O)CC1CSCCN1)c1noc(C)n1.Cl
InChIInChI=1S/C17H22N4O3S.ClH/c1-11-19-17(21-24-11)16(13-5-3-4-6-14(13)23-2)20-15(22)9-12-10-25-8-7-18-12;/h3-6,12,16,18H,7-10H2,1-2H3,(H,20,22);1H
InChIKeySBTLOTJCPVRZLP-UHFFFAOYSA-N
MW398.92 g/mol
LogP2.11
Rot. Bonds6

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

N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939242) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939242
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC NameN-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1C(NC(=O)CC1CSCCN1)c1noc(C)n1.Cl
InChIInChI=1S/C17H22N4O3S.ClH/c1-11-19-17(21-24-11)16(13-5-3-4-6-14(13)23-2)20-15(22)9-12-10-25-8-7-18-12;/h3-6,12,16,18H,7-10H2,1-2H3,(H,20,22);1H
InChIKeySBTLOTJCPVRZLP-UHFFFAOYSA-N
XLogP2.11
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66422032
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119787157
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolidine-3-carboxamide
CID 134068676
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936699
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939067
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936390
(2S)-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 124687547
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbut-2-enamide
CID 95380039
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
3-amino-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 119787151
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide
CID 95380003

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939242) is N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccccc1C(NC(=O)CC1CSCCN1)c1noc(C)n1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is SBTLOTJCPVRZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S.ClH/c1-11-19-17(21-24-11)16(13-5-3-4-6-14(13)23-2)20-15(22)9-12-10-25-8-7-18-12;/h3-6,12,16,18H,7-10H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 398.92 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).