N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide

C26H24N2O3S — CID 139917956

IUPACN-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1oc(-c2ccccc2-c2ccccc2O)nc1-c1cccc(S)c1
InChIInChI=1S/C26H24N2O3S/c1-2-3-15-23(30)27-26-24(17-9-8-10-18(32)16-17)28-25(31-26)21-13-5-4-11-19(21)20-12-6-7-14-22(20)29/h4-14,16,29,32H,2-3,15H2,1H3,(H,27,30)
InChIKeyNPNHTKZVJQRHHI-UHFFFAOYSA-N
MW444.56 g/mol
LogP6.80
Rot. Bonds7

About N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide

N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide (PubChem CID 139917956) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide
PubChem CID139917956
Molecular FormulaC26H24N2O3S
Molecular Weight444.56 g/mol
Exact Mass444.15
IUPAC NameN-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1oc(-c2ccccc2-c2ccccc2O)nc1-c1cccc(S)c1
InChIInChI=1S/C26H24N2O3S/c1-2-3-15-23(30)27-26-24(17-9-8-10-18(32)16-17)28-25(31-26)21-13-5-4-11-19(21)20-12-6-7-14-22(20)29/h4-14,16,29,32H,2-3,15H2,1H3,(H,27,30)
InChIKeyNPNHTKZVJQRHHI-UHFFFAOYSA-N
XLogP6.80
TPSA75.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-hydroxyphenyl)phenyl]-4-phenyl-1,3-oxazol-5-yl]pentanamide
CID 139917947
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-pyridin-3-yl-1,3-oxazol-5-yl]pentanamide
CID 57257365
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pentanamide
CID 70180403
N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide
CID 139917864
N-[4-(3-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139918012
N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139917966
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide
CID 57197415
N-(3-sulfanylphenyl)heptanamide
CID 173451208
2-(4-chloro-2-hydroxyphenyl)-N-[4-phenyl-2-(4-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide
CID 139917967
2-(4-chloro-2-hydroxyphenyl)-N-[2-phenyl-4-(2-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide
CID 139917997
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
CID 139917923

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide?
The IUPAC name of N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide (CID 139917956) is N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide.
What is the SMILES notation for N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide?
The canonical SMILES for N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide is CCCCC(=O)Nc1oc(-c2ccccc2-c2ccccc2O)nc1-c1cccc(S)c1.
What is the InChIKey of N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide?
The InChIKey is NPNHTKZVJQRHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-2-3-15-23(30)27-26-24(17-9-8-10-18(32)16-17)28-25(31-26)21-13-5-4-11-19(21)20-12-6-7-14-22(20)29/h4-14,16,29,32H,2-3,15H2,1H3,(H,27,30).
What are the key properties of N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide?
N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide has a molecular weight of 444.56 g/mol, XLogP of 6.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxyphenyl)phenyl]-4-(3-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide is sourced from PubChem (CID 139917956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).