N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide

C15H17FN2O2S — CID 77095977

IUPACN-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCCSCc1ccccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-14(18-10-20-11)15(19)17-7-4-8-21-9-12-5-2-3-6-13(12)16/h2-3,5-6,10H,4,7-9H2,1H3,(H,17,19)
InChIKeyOFYYBKDBALOQNY-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.18
Rot. Bonds7

About N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 77095977) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID77095977
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCCSCc1ccccc1F
InChIInChI=1S/C15H17FN2O2S/c1-11-14(18-10-20-11)15(19)17-7-4-8-21-9-12-5-2-3-6-13(12)16/h2-3,5-6,10H,4,7-9H2,1H3,(H,17,19)
InChIKeyOFYYBKDBALOQNY-UHFFFAOYSA-N
XLogP3.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 17396497
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77080920
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 77095802
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-methylurea
CID 55769039
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666770
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 9490211
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 46482531
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24644388
1-(4-chlorophenyl)-3-[3-[(2-fluorophenyl)methylsulfanyl]propyl]thiourea
CID 100697448
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687
1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-pyridin-3-ylthiourea
CID 100698285

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 77095977) is N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCCCSCc1ccccc1F.
What is the InChIKey of N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OFYYBKDBALOQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-14(18-10-20-11)15(19)17-7-4-8-21-9-12-5-2-3-6-13(12)16/h2-3,5-6,10H,4,7-9H2,1H3,(H,17,19).
What are the key properties of N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 77095977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).