N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

C27H23FN2O2S — CID 171703739

IUPACN-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1SCc1ccc(F)cc1)c1cc(-c2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C27H23FN2O2S/c28-22-13-9-18(10-14-22)17-33-26-8-4-3-7-23(26)29-27(31)24-16-25(32-30-24)21-12-11-19-5-1-2-6-20(19)15-21/h3-4,7-16H,1-2,5-6,17H2,(H,29,31)
InChIKeyQNAMQAMMVQJXBU-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.90
Rot. Bonds6

About N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 171703739) has the molecular formula C27H23FN2O2S and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID171703739
Molecular FormulaC27H23FN2O2S
Molecular Weight458.56 g/mol
Exact Mass458.15
IUPAC NameN-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1SCc1ccc(F)cc1)c1cc(-c2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C27H23FN2O2S/c28-22-13-9-18(10-14-22)17-33-26-8-4-3-7-23(26)29-27(31)24-16-25(32-30-24)21-12-11-19-5-1-2-6-20(19)15-21/h3-4,7-16H,1-2,5-6,17H2,(H,29,31)
InChIKeyQNAMQAMMVQJXBU-UHFFFAOYSA-N
XLogP6.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 171703886
N-[4-(1,1,2,2-tetrafluoroethoxy)-3-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carbonyl]amino]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 139582710
5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 155943086
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 1252354
N-[2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 171703768
5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide
CID 171703762
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 46300005
methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
CID 3571866
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 100574546
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 26771125
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 17424931

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide (CID 171703739) is N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1SCc1ccc(F)cc1)c1cc(-c2ccc3c(c2)CCCC3)on1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is QNAMQAMMVQJXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O2S/c28-22-13-9-18(10-14-22)17-33-26-8-4-3-7-23(26)29-27(31)24-16-25(32-30-24)21-12-11-19-5-1-2-6-20(19)15-21/h3-4,7-16H,1-2,5-6,17H2,(H,29,31).
What are the key properties of N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171703739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).