4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C19H17FN4O2S — CID 134808948

IUPAC4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCc1csc(Nc2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)n1
InChIInChI=1S/C19H17FN4O2S/c1-12-11-27-19(21-12)23-17-7-6-16-15(22-17)9-24(18(25)10-26-16)8-13-2-4-14(20)5-3-13/h2-7,11H,8-10H2,1H3,(H,21,22,23)
InChIKeyZJOMPRUAFTVIBE-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.65
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one

4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134808948) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134808948
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCc1csc(Nc2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)n1
InChIInChI=1S/C19H17FN4O2S/c1-12-11-27-19(21-12)23-17-7-6-16-15(22-17)9-24(18(25)10-26-16)8-13-2-4-14(20)5-3-13/h2-7,11H,8-10H2,1H3,(H,21,22,23)
InChIKeyZJOMPRUAFTVIBE-UHFFFAOYSA-N
XLogP3.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134808948) is 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is Cc1csc(Nc2ccc3c(n2)CN(Cc2ccc(F)cc2)C(=O)CO3)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is ZJOMPRUAFTVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-12-11-27-19(21-12)23-17-7-6-16-15(22-17)9-24(18(25)10-26-16)8-13-2-4-14(20)5-3-13/h2-7,11H,8-10H2,1H3,(H,21,22,23).
What are the key properties of 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 384.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134808948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).