N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine

C9H14N2O — CID 170186945

IUPACN-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)c1cc(C)on1
InChIInChI=1S/C9H14N2O/c1-6(2)10-8(4)9-5-7(3)12-11-9/h5-6,10H,4H2,1-3H3
InChIKeyFZGWSPUUQRJJGM-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine

N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine (PubChem CID 170186945) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine
PubChem CID170186945
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)c1cc(C)on1
InChIInChI=1S/C9H14N2O/c1-6(2)10-8(4)9-5-7(3)12-11-9/h5-6,10H,4H2,1-3H3
InChIKeyFZGWSPUUQRJJGM-UHFFFAOYSA-N
XLogP1.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953940
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
CID 78790456
1-(5-methyl-1,2-oxazol-3-yl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 126420941
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine?
The IUPAC name of N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine (CID 170186945) is N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine is C=C(NC(C)C)c1cc(C)on1.
What is the InChIKey of N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine?
The InChIKey is FZGWSPUUQRJJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)10-8(4)9-5-7(3)12-11-9/h5-6,10H,4H2,1-3H3.
What are the key properties of N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine?
N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine has a molecular weight of 166.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine is sourced from PubChem (CID 170186945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).