(4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone

C19H23N3O3 — CID 91919617

IUPAC(4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone
SMILESCc1ncoc1C(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1
InChIInChI=1S/C19H23N3O3/c1-14-17(24-13-20-14)18(23)22-11-15-5-3-4-6-16(15)25-19(12-22)7-9-21(2)10-8-19/h3-6,13H,7-12H2,1-2H3
InChIKeyVVZHQEKJDZJRHA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.48
Rot. Bonds1

About (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone

(4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone (PubChem CID 91919617) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone
PubChem CID91919617
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone
SMILESCc1ncoc1C(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1
InChIInChI=1S/C19H23N3O3/c1-14-17(24-13-20-14)18(23)22-11-15-5-3-4-6-16(15)25-19(12-22)7-9-21(2)10-8-19/h3-6,13H,7-12H2,1-2H3
InChIKeyVVZHQEKJDZJRHA-UHFFFAOYSA-N
XLogP2.48
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone (CID 91919617) is (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone is Cc1ncoc1C(=O)N1Cc2ccccc2OC2(CCN(C)CC2)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone?
The InChIKey is VVZHQEKJDZJRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-17(24-13-20-14)18(23)22-11-15-5-3-4-6-16(15)25-19(12-22)7-9-21(2)10-8-19/h3-6,13H,7-12H2,1-2H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone?
(4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)methanone is sourced from PubChem (CID 91919617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).