6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine

C18H14ClN3O — CID 57344512

IUPAC6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine
SMILESCc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2N
InChIInChI=1S/C18H14ClN3O/c1-10-15-13-4-2-3-5-14(13)16(11-6-8-12(19)9-7-11)21-18(20)17(15)23-22-10/h2-9,18H,20H2,1H3
InChIKeyQTSFNPIWLPOQCX-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.11
Rot. Bonds1

About 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine

6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine (PubChem CID 57344512) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine
PubChem CID57344512
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine
SMILESCc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2N
InChIInChI=1S/C18H14ClN3O/c1-10-15-13-4-2-3-5-14(13)16(11-6-8-12(19)9-7-11)21-18(20)17(15)23-22-10/h2-9,18H,20H2,1H3
InChIKeyQTSFNPIWLPOQCX-UHFFFAOYSA-N
XLogP4.11
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pelabresib Anhydrous
CID 57389999
L 741742
CID 133008
3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
3-(2-Chlorophenyl)-5-methyl-4-phenyl-1,2-oxazole
CID 57780773
Pelabresib
CID 118591411
3-(3-Chlorophenyl)-5-methyl-4-phenyl-1,2-oxazole
CID 44194809
3,5-Bis(4-chlorophenyl)-1,2-oxazole
CID 4190932
[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]methanamine
CID 2764163
6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine
CID 67951243
N-(benzoyloxy)-N-{(E)-1-[3-(4-chlorophenyl)-5-isoxazolyl]ethylidene}amine
CID 5524753
5-(p-Chlorophenyl)-3-phenylisoxazole
CID 279127
N4-[(4-chlorophenyl)(imino)methyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 2746468

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine (CID 57344512) is 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine is Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2N.
What is the InChIKey of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine?
The InChIKey is QTSFNPIWLPOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-10-15-13-4-2-3-5-14(13)16(11-6-8-12(19)9-7-11)21-18(20)17(15)23-22-10/h2-9,18H,20H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine?
6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine has a molecular weight of 323.78 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-amine is sourced from PubChem (CID 57344512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).