(4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

C20H18N2O3 — CID 126464188

IUPAC(4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESCc1ncoc1C(=O)N1Cc2ccccc2OC(c2ccccc2)C1
InChIInChI=1S/C20H18N2O3/c1-14-19(24-13-21-14)20(23)22-11-16-9-5-6-10-17(16)25-18(12-22)15-7-3-2-4-8-15/h2-10,13,18H,11-12H2,1H3
InChIKeyBDZVNIOWMYFKJU-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.76
Rot. Bonds2

About (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

(4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (PubChem CID 126464188) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
PubChem CID126464188
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESCc1ncoc1C(=O)N1Cc2ccccc2OC(c2ccccc2)C1
InChIInChI=1S/C20H18N2O3/c1-14-19(24-13-21-14)20(23)22-11-16-9-5-6-10-17(16)25-18(12-22)15-7-3-2-4-8-15/h2-10,13,18H,11-12H2,1H3
InChIKeyBDZVNIOWMYFKJU-UHFFFAOYSA-N
XLogP3.76
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (CID 126464188) is (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is Cc1ncoc1C(=O)N1Cc2ccccc2OC(c2ccccc2)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The InChIKey is BDZVNIOWMYFKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14-19(24-13-21-14)20(23)22-11-16-9-5-6-10-17(16)25-18(12-22)15-7-3-2-4-8-15/h2-10,13,18H,11-12H2,1H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
(4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is sourced from PubChem (CID 126464188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).