1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine

C14H18N2O — CID 105488447

IUPAC1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc(C3=NCCO3)c2)CC1
InChIInChI=1S/C14H18N2O/c15-14(6-7-14)5-4-11-2-1-3-12(10-11)13-16-8-9-17-13/h1-3,10H,4-9,15H2
InChIKeyRURORXCSIVVMFA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.89
Rot. Bonds4

About 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine

1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine (PubChem CID 105488447) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine
PubChem CID105488447
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc(C3=NCCO3)c2)CC1
InChIInChI=1S/C14H18N2O/c15-14(6-7-14)5-4-11-2-1-3-12(10-11)13-16-8-9-17-13/h1-3,10H,4-9,15H2
InChIKeyRURORXCSIVVMFA-UHFFFAOYSA-N
XLogP1.89
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine (CID 105488447) is 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine is NC1(CCc2cccc(C3=NCCO3)c2)CC1.
What is the InChIKey of 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine?
The InChIKey is RURORXCSIVVMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-14(6-7-14)5-4-11-2-1-3-12(10-11)13-16-8-9-17-13/h1-3,10H,4-9,15H2.
What are the key properties of 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine?
1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105488447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).