(2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C17H20N2O3 — CID 75388468

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCOc1cccc2c1CCCCN2C(=O)c1oc(C)nc1C
InChIInChI=1S/C17H20N2O3/c1-11-16(22-12(2)18-11)17(20)19-10-5-4-7-13-14(19)8-6-9-15(13)21-3/h6,8-9H,4-5,7,10H2,1-3H3
InChIKeyJLKXZEWTASFTJG-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.28
Rot. Bonds2

About (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 75388468) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID75388468
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCOc1cccc2c1CCCCN2C(=O)c1oc(C)nc1C
InChIInChI=1S/C17H20N2O3/c1-11-16(22-12(2)18-11)17(20)19-10-5-4-7-13-14(19)8-6-9-15(13)21-3/h6,8-9H,4-5,7,10H2,1-3H3
InChIKeyJLKXZEWTASFTJG-UHFFFAOYSA-N
XLogP3.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 75388468) is (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is COc1cccc2c1CCCCN2C(=O)c1oc(C)nc1C.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is JLKXZEWTASFTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-16(22-12(2)18-11)17(20)19-10-5-4-7-13-14(19)8-6-9-15(13)21-3/h6,8-9H,4-5,7,10H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-(6-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 75388468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).