N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine

C9H16N2O — CID 65239762

IUPACN-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1cnoc1C(C)C
InChIInChI=1S/C9H16N2O/c1-4-10-5-8-6-11-12-9(8)7(2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyUJQNOMGTVRLVAE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.91
Rot. Bonds4

About N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine

N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine (PubChem CID 65239762) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine
PubChem CID65239762
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1cnoc1C(C)C
InChIInChI=1S/C9H16N2O/c1-4-10-5-8-6-11-12-9(8)7(2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyUJQNOMGTVRLVAE-UHFFFAOYSA-N
XLogP1.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine (CID 65239762) is N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine is CCNCc1cnoc1C(C)C.
What is the InChIKey of N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The InChIKey is UJQNOMGTVRLVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-10-5-8-6-11-12-9(8)7(2)3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine?
N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,2-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 65239762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).