N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide

C16H14N2O3S — CID 47983061

IUPACN-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1
InChIInChI=1S/C16H14N2O3S/c1-22-10-15(19)17-11-6-8-12(9-7-11)20-16-18-13-4-2-3-5-14(13)21-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyGCBJXCXGKRDCMX-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.92
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide

N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide (PubChem CID 47983061) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide
PubChem CID47983061
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1
InChIInChI=1S/C16H14N2O3S/c1-22-10-15(19)17-11-6-8-12(9-7-11)20-16-18-13-4-2-3-5-14(13)21-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyGCBJXCXGKRDCMX-UHFFFAOYSA-N
XLogP3.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
N-[4-[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 23100939
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 166195351
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
CID 154645805
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide
CID 5299506
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881
2-(1,3-benzoxazol-2-yloxy)acetic acid;N-methyl-4-methylsulfanylaniline
CID 70536719
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7835995
1,3-benzoxazol-2-yl propanoate
CID 57266328
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55493163

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide (CID 47983061) is N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide?
The InChIKey is GCBJXCXGKRDCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-22-10-15(19)17-11-6-8-12(9-7-11)20-16-18-13-4-2-3-5-14(13)21-16/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide?
N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide has a molecular weight of 314.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 47983061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).