5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine

C24H19FN4O — CID 57344624

IUPAC5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine
SMILESCc1noc2c1-c1ccc(-c3ccc(N)nc3)cc1C(c1ccc(F)cc1)=N[C@H]2C
InChIInChI=1S/C24H19FN4O/c1-13-22-19-9-5-16(17-6-10-21(26)27-12-17)11-20(19)23(15-3-7-18(25)8-4-15)28-14(2)24(22)30-29-13/h3-12,14H,1-2H3,(H2,26,27)/t14-/m0/s1
InChIKeyGLVRZYZHGIDKBA-AWEZNQCLSA-N
MW398.44 g/mol
LogP5.35
Rot. Bonds2

About 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine

5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine (PubChem CID 57344624) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine
PubChem CID57344624
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine
SMILESCc1noc2c1-c1ccc(-c3ccc(N)nc3)cc1C(c1ccc(F)cc1)=N[C@H]2C
InChIInChI=1S/C24H19FN4O/c1-13-22-19-9-5-16(17-6-10-21(26)27-12-17)11-20(19)23(15-3-7-18(25)8-4-15)28-14(2)24(22)30-29-13/h3-12,14H,1-2H3,(H2,26,27)/t14-/m0/s1
InChIKeyGLVRZYZHGIDKBA-AWEZNQCLSA-N
XLogP5.35
TPSA77.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine?
The IUPAC name of 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine (CID 57344624) is 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine.
What is the SMILES notation for 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine?
The canonical SMILES for 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine is Cc1noc2c1-c1ccc(-c3ccc(N)nc3)cc1C(c1ccc(F)cc1)=N[C@H]2C.
What is the InChIKey of 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine?
The InChIKey is GLVRZYZHGIDKBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-13-22-19-9-5-16(17-6-10-21(26)27-12-17)11-20(19)23(15-3-7-18(25)8-4-15)28-14(2)24(22)30-29-13/h3-12,14H,1-2H3,(H2,26,27)/t14-/m0/s1.
What are the key properties of 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine?
5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine has a molecular weight of 398.44 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-6-(4-fluorophenyl)-1,4-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-8-yl]pyridin-2-amine is sourced from PubChem (CID 57344624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).