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

C12H19N3O2 — CID 6466462

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCN(C)CC1
InChIInChI=1S/C12H19N3O2/c1-9-11(10(2)17-13-9)12(16)15-6-4-5-14(3)7-8-15/h4-8H2,1-3H3
InChIKeyPSOUWTVLZKPEQY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.07
Rot. Bonds1

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

(3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 6466462) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID6466462
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCN(C)CC1
InChIInChI=1S/C12H19N3O2/c1-9-11(10(2)17-13-9)12(16)15-6-4-5-14(3)7-8-15/h4-8H2,1-3H3
InChIKeyPSOUWTVLZKPEQY-UHFFFAOYSA-N
XLogP1.07
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
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)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 6466462) is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is Cc1noc(C)c1C(=O)N1CCCN(C)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is PSOUWTVLZKPEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-11(10(2)17-13-9)12(16)15-6-4-5-14(3)7-8-15/h4-8H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 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)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 6466462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).