N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine

C12H18N2O2 — CID 65182395

IUPACN-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESc1nc(CCNC2CC2)oc1C1CCCO1
InChIInChI=1S/C12H18N2O2/c1-2-10(15-7-1)11-8-14-12(16-11)5-6-13-9-3-4-9/h8-10,13H,1-7H2
InChIKeyNZFKBWZNENPELC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds5

About N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (PubChem CID 65182395) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
PubChem CID65182395
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
SMILESc1nc(CCNC2CC2)oc1C1CCCO1
InChIInChI=1S/C12H18N2O2/c1-2-10(15-7-1)11-8-14-12(16-11)5-6-13-9-3-4-9/h8-10,13H,1-7H2
InChIKeyNZFKBWZNENPELC-UHFFFAOYSA-N
XLogP1.82
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine (CID 65182395) is N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is c1nc(CCNC2CC2)oc1C1CCCO1.
What is the InChIKey of N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is NZFKBWZNENPELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-10(15-7-1)11-8-14-12(16-11)5-6-13-9-3-4-9/h8-10,13H,1-7H2.
What are the key properties of N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 222.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 65182395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).