3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine

C9H16N2O — CID 88992990

IUPAC3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESC/C=C\C1=C(CCCN)NCO1
InChIInChI=1S/C9H16N2O/c1-2-4-9-8(5-3-6-10)11-7-12-9/h2,4,11H,3,5-7,10H2,1H3/b4-2-
InChIKeySRGVYZPFIWQMIJ-RQOWECAXSA-N
MW168.24 g/mol
LogP1.09
Rot. Bonds4

About 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine

3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 88992990) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine
PubChem CID88992990
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESC/C=C\C1=C(CCCN)NCO1
InChIInChI=1S/C9H16N2O/c1-2-4-9-8(5-3-6-10)11-7-12-9/h2,4,11H,3,5-7,10H2,1H3/b4-2-
InChIKeySRGVYZPFIWQMIJ-RQOWECAXSA-N
XLogP1.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine (CID 88992990) is 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine is C/C=C\C1=C(CCCN)NCO1.
What is the InChIKey of 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is SRGVYZPFIWQMIJ-RQOWECAXSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-4-9-8(5-3-6-10)11-7-12-9/h2,4,11H,3,5-7,10H2,1H3/b4-2-.
What are the key properties of 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine?
3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 88992990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).