2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide

C13H21N3O4 — CID 3469649

IUPAC2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)N(C)CC2OCCO2)co1
InChIInChI=1S/C13H21N3O4/c1-8(2)11(14)12-15-9(7-20-12)13(17)16(3)6-10-18-4-5-19-10/h7-8,10-11H,4-6,14H2,1-3H3
InChIKeyOHDVKPIMIIDLJA-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.78
Rot. Bonds5

About 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 3469649) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID3469649
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)N(C)CC2OCCO2)co1
InChIInChI=1S/C13H21N3O4/c1-8(2)11(14)12-15-9(7-20-12)13(17)16(3)6-10-18-4-5-19-10/h7-8,10-11H,4-6,14H2,1-3H3
InChIKeyOHDVKPIMIIDLJA-UHFFFAOYSA-N
XLogP0.78
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
[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]-(azepan-1-yl)methanone
CID 3847869
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-methylpropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3836320
2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3857442
2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3839796
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
2-(1-amino-2-methylpropyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3827756
N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 86165247
ethyl 2-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 3836312

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide (CID 3469649) is 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide is CC(C)C(N)c1nc(C(=O)N(C)CC2OCCO2)co1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OHDVKPIMIIDLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8(2)11(14)12-15-9(7-20-12)13(17)16(3)6-10-18-4-5-19-10/h7-8,10-11H,4-6,14H2,1-3H3.
What are the key properties of 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3469649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).