N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

C18H22N2O3S — CID 110893981

IUPACN-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1coc(-c2ccccc2)n1)NC1CCC(O)CC1
InChIInChI=1S/C18H22N2O3S/c21-16-8-6-14(7-9-16)19-17(22)12-24-11-15-10-23-18(20-15)13-4-2-1-3-5-13/h1-5,10,14,16,21H,6-9,11-12H2,(H,19,22)
InChIKeyXCXSNBHNHZXKHK-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.99
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 110893981) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID110893981
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1coc(-c2ccccc2)n1)NC1CCC(O)CC1
InChIInChI=1S/C18H22N2O3S/c21-16-8-6-14(7-9-16)19-17(22)12-24-11-15-10-23-18(20-15)13-4-2-1-3-5-13/h1-5,10,14,16,21H,6-9,11-12H2,(H,19,22)
InChIKeyXCXSNBHNHZXKHK-UHFFFAOYSA-N
XLogP2.99
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 120599461
N-(2-methylpiperidin-4-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 120599460
N-(2-methylpiperidin-3-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 120574731
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110001098
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225340
N-phenyl-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55990346
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 119223648
(2S)-2-methyl-3-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 97087268
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 55630083

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (CID 110893981) is N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is O=C(CSCc1coc(-c2ccccc2)n1)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is XCXSNBHNHZXKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-16-8-6-14(7-9-16)19-17(22)12-24-11-15-10-23-18(20-15)13-4-2-1-3-5-13/h1-5,10,14,16,21H,6-9,11-12H2,(H,19,22).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 110893981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).