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

C14H23N3O2 — CID 39910126

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCCN(C)CC1
InChIInChI=1S/C14H23N3O2/c1-11-13(12(2)19-15-11)5-6-14(18)17-8-4-7-16(3)9-10-17/h4-10H2,1-3H3
InChIKeyQKKAVTCSNARFGY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.39
Rot. Bonds3

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 39910126) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
PubChem CID39910126
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCCN(C)CC1
InChIInChI=1S/C14H23N3O2/c1-11-13(12(2)19-15-11)5-6-14(18)17-8-4-7-16(3)9-10-17/h4-10H2,1-3H3
InChIKeyQKKAVTCSNARFGY-UHFFFAOYSA-N
XLogP1.39
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one (CID 39910126) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCCN(C)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is QKKAVTCSNARFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-13(12(2)19-15-11)5-6-14(18)17-8-4-7-16(3)9-10-17/h4-10H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 39910126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).