(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone

C19H17N3O3 — CID 71984270

IUPAC(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESCc1nnc(-c2ccc(C(=O)N3CC(C)Oc4ccccc43)cc2)o1
InChIInChI=1S/C19H17N3O3/c1-12-11-22(16-5-3-4-6-17(16)24-12)19(23)15-9-7-14(8-10-15)18-21-20-13(2)25-18/h3-10,12H,11H2,1-2H3
InChIKeyLQRVYNNFJOTRTE-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.47
Rot. Bonds2

About (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone

(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone (PubChem CID 71984270) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
PubChem CID71984270
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESCc1nnc(-c2ccc(C(=O)N3CC(C)Oc4ccccc43)cc2)o1
InChIInChI=1S/C19H17N3O3/c1-12-11-22(16-5-3-4-6-17(16)24-12)19(23)15-9-7-14(8-10-15)18-21-20-13(2)25-18/h3-10,12H,11H2,1-2H3
InChIKeyLQRVYNNFJOTRTE-UHFFFAOYSA-N
XLogP3.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The IUPAC name of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone (CID 71984270) is (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone is Cc1nnc(-c2ccc(C(=O)N3CC(C)Oc4ccccc43)cc2)o1.
What is the InChIKey of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The InChIKey is LQRVYNNFJOTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-11-22(16-5-3-4-6-17(16)24-12)19(23)15-9-7-14(8-10-15)18-21-20-13(2)25-18/h3-10,12H,11H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone has a molecular weight of 335.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71984270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).