(E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine

C13H20N2O — CID 138750758

IUPAC(E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine
SMILESC/C=C\c1oc(/C(C)=C/CN(C)C)nc1C
InChIInChI=1S/C13H20N2O/c1-6-7-12-11(3)14-13(16-12)10(2)8-9-15(4)5/h6-8H,9H2,1-5H3/b7-6-,10-8+
InChIKeyDSIGAFDXCDDLCY-VAAURPRASA-N
MW220.32 g/mol
LogP2.98
Rot. Bonds4

About (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine

(E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine (PubChem CID 138750758) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine
PubChem CID138750758
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine
SMILESC/C=C\c1oc(/C(C)=C/CN(C)C)nc1C
InChIInChI=1S/C13H20N2O/c1-6-7-12-11(3)14-13(16-12)10(2)8-9-15(4)5/h6-8H,9H2,1-5H3/b7-6-,10-8+
InChIKeyDSIGAFDXCDDLCY-VAAURPRASA-N
XLogP2.98
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine (CID 138750758) is (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine is C/C=C\c1oc(/C(C)=C/CN(C)C)nc1C.
What is the InChIKey of (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine?
The InChIKey is DSIGAFDXCDDLCY-VAAURPRASA-N. The full InChI is InChI=1S/C13H20N2O/c1-6-7-12-11(3)14-13(16-12)10(2)8-9-15(4)5/h6-8H,9H2,1-5H3/b7-6-,10-8+.
What are the key properties of (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine?
(E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-[4-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]but-2-en-1-amine is sourced from PubChem (CID 138750758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).