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

C10H16N2O — CID 165072315

IUPAC(2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)c1cnco1
InChIInChI=1S/C10H16N2O/c1-7(2)8(3)12-9(4)10-5-11-6-13-10/h5-8,12H,4H2,1-3H3/t8-/m1/s1
InChIKeyFNAUAGXELWLFSL-MRVPVSSYSA-N
MW180.25 g/mol
LogP2.28
Rot. Bonds4

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

(2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine (PubChem CID 165072315) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine
PubChem CID165072315
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine
SMILESC=C(N[C@H](C)C(C)C)c1cnco1
InChIInChI=1S/C10H16N2O/c1-7(2)8(3)12-9(4)10-5-11-6-13-10/h5-8,12H,4H2,1-3H3/t8-/m1/s1
InChIKeyFNAUAGXELWLFSL-MRVPVSSYSA-N
XLogP2.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine (CID 165072315) is (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine is C=C(N[C@H](C)C(C)C)c1cnco1.
What is the InChIKey of (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine?
The InChIKey is FNAUAGXELWLFSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)8(3)12-9(4)10-5-11-6-13-10/h5-8,12H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine?
(2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine has a molecular weight of 180.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[1-(1,3-oxazol-5-yl)ethenyl]butan-2-amine is sourced from PubChem (CID 165072315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).