[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C11H17N3O2 — CID 3859728

IUPAC[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCC(N)c1nc(C(=O)N2CCCC2)co1
InChIInChI=1S/C11H17N3O2/c1-2-8(12)10-13-9(7-16-10)11(15)14-5-3-4-6-14/h7-8H,2-6,12H2,1H3
InChIKeyHXPDBJHBKWCXCH-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.32
Rot. Bonds3

About [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3859728) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID3859728
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCC(N)c1nc(C(=O)N2CCCC2)co1
InChIInChI=1S/C11H17N3O2/c1-2-8(12)10-13-9(7-16-10)11(15)14-5-3-4-6-14/h7-8H,2-6,12H2,1H3
InChIKeyHXPDBJHBKWCXCH-UHFFFAOYSA-N
XLogP1.32
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 3435157
ethyl 1-[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 3865870
[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 3853938
[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3863866
1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 3853952
[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone
CID 3682219
2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3275344
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3851144
[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4991020
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 3859728) is [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is CCC(N)c1nc(C(=O)N2CCCC2)co1.
What is the InChIKey of [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HXPDBJHBKWCXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-8(12)10-13-9(7-16-10)11(15)14-5-3-4-6-14/h7-8H,2-6,12H2,1H3.
What are the key properties of [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 223.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3859728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).