5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine

C22H20FN3O4S2 — CID 18439702

IUPAC5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine
SMILESCOc1ccc(S(=O)(=O)CCc2scnc2C)cc1Nc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H20FN3O4S2/c1-14-21(31-13-25-14)9-10-32(27,28)17-7-8-19(29-2)18(11-17)26-22-24-12-20(30-22)15-3-5-16(23)6-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)
InChIKeyQUMJQKAQGRKROF-UHFFFAOYSA-N
MW473.55 g/mol
LogP5.01
Rot. Bonds8

About 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine

5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine (PubChem CID 18439702) has the molecular formula C22H20FN3O4S2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine
PubChem CID18439702
Molecular FormulaC22H20FN3O4S2
Molecular Weight473.55 g/mol
Exact Mass473.09
IUPAC Name5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine
SMILESCOc1ccc(S(=O)(=O)CCc2scnc2C)cc1Nc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H20FN3O4S2/c1-14-21(31-13-25-14)9-10-32(27,28)17-7-8-19(29-2)18(11-17)26-22-24-12-20(30-22)15-3-5-16(23)6-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)
InChIKeyQUMJQKAQGRKROF-UHFFFAOYSA-N
XLogP5.01
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-(Ethylsulfonyl)-2-methoxyphenyl)-5-(3-(2-pyridinyl)phenyl)-1,3-oxazol-2-amine
CID 4369497
2-Anilino-5-aryloxazole 20
CID 5329855
2-Anilino-5-aryloxazole 21
CID 5329856
2-Anilino-5-aryloxazole 25
CID 5329858
2-Anilino-5-aryloxazole 26
CID 5329859
2-Anilino-5-aryloxazole 27
CID 5329860
N-[5-(ethanesulfonyl)-2-methoxyphenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-amine
CID 5329861
2-Anilino-5-aryloxazole 30
CID 5329863
2-Anilino-5-aryloxazole 31
CID 5329864
2-Anilino-5-aryloxazole 32
CID 5329865
Benzamide,4-[2-[[5-(ethylsulfonyl)-2-methoxyphenyl]amino]-5-oxazolyl]-
CID 5329866
2-Anilino-5-aryloxazole 35
CID 5329867

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine (CID 18439702) is 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine is COc1ccc(S(=O)(=O)CCc2scnc2C)cc1Nc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine?
The InChIKey is QUMJQKAQGRKROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4S2/c1-14-21(31-13-25-14)9-10-32(27,28)17-7-8-19(29-2)18(11-17)26-22-24-12-20(30-22)15-3-5-16(23)6-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,24,26).
What are the key properties of 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine?
5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine has a molecular weight of 473.55 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-methoxy-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 18439702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).