[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

C13H21N3O3 — CID 3435157

IUPAC[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCCC(C)C(N)c1nc(C(=O)N2CCOCC2)co1
InChIInChI=1S/C13H21N3O3/c1-3-9(2)11(14)12-15-10(8-19-12)13(17)16-4-6-18-7-5-16/h8-9,11H,3-7,14H2,1-2H3
InChIKeyQYFBGUOOJULLBM-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.19
Rot. Bonds4

About [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone

[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 3435157) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
PubChem CID3435157
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
SMILESCCC(C)C(N)c1nc(C(=O)N2CCOCC2)co1
InChIInChI=1S/C13H21N3O3/c1-3-9(2)11(14)12-15-10(8-19-12)13(17)16-4-6-18-7-5-16/h8-9,11H,3-7,14H2,1-2H3
InChIKeyQYFBGUOOJULLBM-UHFFFAOYSA-N
XLogP1.19
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
[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-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 3829164
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414
1-[4-[4-[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 3853952
[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3863866
2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3275344

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone (CID 3435157) is [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is CCC(C)C(N)c1nc(C(=O)N2CCOCC2)co1.
What is the InChIKey of [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is QYFBGUOOJULLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-9(2)11(14)12-15-10(8-19-12)13(17)16-4-6-18-7-5-16/h8-9,11H,3-7,14H2,1-2H3.
What are the key properties of [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone?
[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 267.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3435157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).