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

C15H18ClN3O2S — CID 119936833

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H17N3O2S.ClH/c19-15(7-13-9-21-6-5-17-13)18-12-3-1-11(2-4-12)14-8-16-10-20-14;/h1-4,8,10,13,17H,5-7,9H2,(H,18,19);1H
InChIKeyNMZXSLSBHXHVLZ-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.80
Rot. Bonds4

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

N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936833) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936833
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H17N3O2S.ClH/c19-15(7-13-9-21-6-5-17-13)18-12-3-1-11(2-4-12)14-8-16-10-20-14;/h1-4,8,10,13,17H,5-7,9H2,(H,18,19);1H
InChIKeyNMZXSLSBHXHVLZ-UHFFFAOYSA-N
XLogP2.80
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
2-morpholin-2-yl-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 66426352
N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119941075
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941502
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940632
N-(6-imidazol-1-yl-3-pyridinyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941131
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936833) is N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is NMZXSLSBHXHVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.ClH/c19-15(7-13-9-21-6-5-17-13)18-12-3-1-11(2-4-12)14-8-16-10-20-14;/h1-4,8,10,13,17H,5-7,9H2,(H,18,19);1H.
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 339.85 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).