(3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone

C16H19N3O2 — CID 107388513

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(C)NCc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-10-9-19(14-7-5-4-6-13(14)8-17-10)16(20)15-11(2)18-21-12(15)3/h4-7,10,17H,8-9H2,1-3H3
InChIKeyUMAXGKTZOLAMIL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.43
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (PubChem CID 107388513) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
PubChem CID107388513
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(C)NCc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-10-9-19(14-7-5-4-6-13(14)8-17-10)16(20)15-11(2)18-21-12(15)3/h4-7,10,17H,8-9H2,1-3H3
InChIKeyUMAXGKTZOLAMIL-UHFFFAOYSA-N
XLogP2.43
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (CID 107388513) is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CC(C)NCc2ccccc21.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone?
The InChIKey is UMAXGKTZOLAMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-9-19(14-7-5-4-6-13(14)8-17-10)16(20)15-11(2)18-21-12(15)3/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone is sourced from PubChem (CID 107388513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).