[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone

C14H23N3O2 — CID 3847869

IUPAC[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
SMILESCC(C)C(N)c1nc(C(=O)N2CCCCCC2)co1
InChIInChI=1S/C14H23N3O2/c1-10(2)12(15)13-16-11(9-19-13)14(18)17-7-5-3-4-6-8-17/h9-10,12H,3-8,15H2,1-2H3
InChIKeyKSXRJRXSHURLPV-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.35
Rot. Bonds3

About [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone (PubChem CID 3847869) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
PubChem CID3847869
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
SMILESCC(C)C(N)c1nc(C(=O)N2CCCCCC2)co1
InChIInChI=1S/C14H23N3O2/c1-10(2)12(15)13-16-11(9-19-13)14(18)17-7-5-3-4-6-8-17/h9-10,12H,3-8,15H2,1-2H3
InChIKeyKSXRJRXSHURLPV-UHFFFAOYSA-N
XLogP2.35
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3851144
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 3435157
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3469228
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 3853938
2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 3469649
[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone
CID 3682219
1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 3853952
1-[4-(2-amino-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110850382

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone?
The IUPAC name of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone (CID 3847869) is [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone.
What is the SMILES notation for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone?
The canonical SMILES for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone is CC(C)C(N)c1nc(C(=O)N2CCCCCC2)co1.
What is the InChIKey of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone?
The InChIKey is KSXRJRXSHURLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)12(15)13-16-11(9-19-13)14(18)17-7-5-3-4-6-8-17/h9-10,12H,3-8,15H2,1-2H3.
What are the key properties of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone?
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone is sourced from PubChem (CID 3847869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).