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

C11H17N3O2 — CID 110833123

IUPAC1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone
SMILESCc1nc(C(=O)N2CCCNCC2)oc1C
InChIInChI=1S/C11H17N3O2/c1-8-9(2)16-10(13-8)11(15)14-6-3-4-12-5-7-14/h12H,3-7H2,1-2H3
InChIKeyQWNAOGDNDSLOHP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.73
Rot. Bonds1

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

1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone (PubChem CID 110833123) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone
PubChem CID110833123
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone
SMILESCc1nc(C(=O)N2CCCNCC2)oc1C
InChIInChI=1S/C11H17N3O2/c1-8-9(2)16-10(13-8)11(15)14-6-3-4-12-5-7-14/h12H,3-7H2,1-2H3
InChIKeyQWNAOGDNDSLOHP-UHFFFAOYSA-N
XLogP0.73
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-1,3-oxazol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 110833105
1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone
CID 83898486
1,4-diazepan-1-yl-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119414366
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone
CID 110833104
1,4-diazepan-1-yl(1,3-oxazol-5-yl)methanone
CID 83617619
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone (CID 110833123) is 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone is Cc1nc(C(=O)N2CCCNCC2)oc1C.
What is the InChIKey of 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone?
The InChIKey is QWNAOGDNDSLOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-9(2)16-10(13-8)11(15)14-6-3-4-12-5-7-14/h12H,3-7H2,1-2H3.
What are the key properties of 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone?
1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 110833123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).