1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone

C14H19N3O4 — CID 74242354

IUPAC1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ncoc2C2CC2)CC(O)C1
InChIInChI=1S/C14H19N3O4/c1-9(18)16-4-5-17(7-11(19)6-16)14(20)12-13(10-2-3-10)21-8-15-12/h8,10-11,19H,2-7H2,1H3
InChIKeyFGCDOSLQPDJPJQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.22
Rot. Bonds2

About 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone

1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone (PubChem CID 74242354) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
PubChem CID74242354
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ncoc2C2CC2)CC(O)C1
InChIInChI=1S/C14H19N3O4/c1-9(18)16-4-5-17(7-11(19)6-16)14(20)12-13(10-2-3-10)21-8-15-12/h8,10-11,19H,2-7H2,1H3
InChIKeyFGCDOSLQPDJPJQ-UHFFFAOYSA-N
XLogP0.22
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone (CID 74242354) is 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ncoc2C2CC2)CC(O)C1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone?
The InChIKey is FGCDOSLQPDJPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(18)16-4-5-17(7-11(19)6-16)14(20)12-13(10-2-3-10)21-8-15-12/h8,10-11,19H,2-7H2,1H3.
What are the key properties of 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone?
1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone has a molecular weight of 293.32 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 74242354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).