2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C19H14FN3O3S — CID 51218123

IUPAC2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3noc4ccccc34)n2)cc1F
InChIInChI=1S/C19H14FN3O3S/c1-25-17-7-6-11(8-13(17)20)15-10-27-19(21-15)22-18(24)9-14-12-4-2-3-5-16(12)26-23-14/h2-8,10H,9H2,1H3,(H,21,22,24)
InChIKeyXNOFNJSEEFNHFS-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.28
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 51218123) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID51218123
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3noc4ccccc34)n2)cc1F
InChIInChI=1S/C19H14FN3O3S/c1-25-17-7-6-11(8-13(17)20)15-10-27-19(21-15)22-18(24)9-14-12-4-2-3-5-16(12)26-23-14/h2-8,10H,9H2,1H3,(H,21,22,24)
InChIKeyXNOFNJSEEFNHFS-UHFFFAOYSA-N
XLogP4.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 51218123) is 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)Cc3noc4ccccc34)n2)cc1F.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XNOFNJSEEFNHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-25-17-7-6-11(8-13(17)20)15-10-27-19(21-15)22-18(24)9-14-12-4-2-3-5-16(12)26-23-14/h2-8,10H,9H2,1H3,(H,21,22,24).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 383.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 51218123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).