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

C9H13N3O2 — CID 28776622

IUPAC1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCCNCC1
InChIInChI=1S/C9H13N3O2/c13-9(8-2-4-11-14-8)12-6-1-3-10-5-7-12/h2,4,10H,1,3,5-7H2
InChIKeyOPNHXTLBJVWJJB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.11
Rot. Bonds1

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

1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone (PubChem CID 28776622) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
PubChem CID28776622
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCCNCC1
InChIInChI=1S/C9H13N3O2/c13-9(8-2-4-11-14-8)12-6-1-3-10-5-7-12/h2,4,10H,1,3,5-7H2
InChIKeyOPNHXTLBJVWJJB-UHFFFAOYSA-N
XLogP0.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazepan-1-yl(1,3-oxazol-5-yl)methanone
CID 83617619
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760
(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
CID 130666904
3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522114
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 51897824
(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
CID 117218069

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone (CID 28776622) is 1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone?
The InChIKey is OPNHXTLBJVWJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(8-2-4-11-14-8)12-6-1-3-10-5-7-12/h2,4,10H,1,3,5-7H2.
What are the key properties of 1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone?
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.11, 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(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 28776622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).