1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one

C15H23N3O3 — CID 75423554

IUPAC1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCN(C(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C15H23N3O3/c1-4-6-13(19)17-7-5-8-18(10-9-17)15(20)14-11(2)16-12(3)21-14/h4-10H2,1-3H3
InChIKeyWJKNFDFKJZSWNB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.77
Rot. Bonds3

About 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one

1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one (PubChem CID 75423554) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
PubChem CID75423554
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCN(C(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C15H23N3O3/c1-4-6-13(19)17-7-5-8-18(10-9-17)15(20)14-11(2)16-12(3)21-14/h4-10H2,1-3H3
InChIKeyWJKNFDFKJZSWNB-UHFFFAOYSA-N
XLogP1.77
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one (CID 75423554) is 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one is CCCC(=O)N1CCCN(C(=O)c2oc(C)nc2C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one?
The InChIKey is WJKNFDFKJZSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-6-13(19)17-7-5-8-18(10-9-17)15(20)14-11(2)16-12(3)21-14/h4-10H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one?
1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one has a molecular weight of 293.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one is sourced from PubChem (CID 75423554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).