N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C12H23N3O — CID 106388030

IUPACN'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cnc(C(C)NCC(CN)C(C)C)o1
InChIInChI=1S/C12H23N3O/c1-8(2)11(5-13)7-14-10(4)12-15-6-9(3)16-12/h6,8,10-11,14H,5,7,13H2,1-4H3
InChIKeyPBWVNYNBDYGPTE-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.86
Rot. Bonds6

About N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 106388030) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID106388030
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cnc(C(C)NCC(CN)C(C)C)o1
InChIInChI=1S/C12H23N3O/c1-8(2)11(5-13)7-14-10(4)12-15-6-9(3)16-12/h6,8,10-11,14H,5,7,13H2,1-4H3
InChIKeyPBWVNYNBDYGPTE-UHFFFAOYSA-N
XLogP1.86
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 113463232
1-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propan-2-ol
CID 104579718
N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
N',N'-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethane-1,2-diamine
CID 104579639
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 106388143
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
CID 104764634
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 103893723
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-1-thiophen-2-ylethanol
CID 113429120

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 106388030) is N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is Cc1cnc(C(C)NCC(CN)C(C)C)o1.
What is the InChIKey of N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is PBWVNYNBDYGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)11(5-13)7-14-10(4)12-15-6-9(3)16-12/h6,8,10-11,14H,5,7,13H2,1-4H3.
What are the key properties of N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 225.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106388030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).