ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine

C10H18N4O2 — CID 145008048

IUPACethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine
SMILESCC.NCc1cnoc1.NCc1ncco1
InChIInChI=1S/2C4H6N2O.C2H6/c5-1-4-2-6-7-3-4;5-3-4-6-1-2-7-4;1-2/h2-3H,1,5H2;1-2H,3,5H2;1-2H3
InChIKeyYEPBPGVRLKHSGS-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.29
Rot. Bonds2

About ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine

ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine (PubChem CID 145008048) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine.

Molecular Properties

Compound Nameethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine
PubChem CID145008048
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nameethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine
SMILESCC.NCc1cnoc1.NCc1ncco1
InChIInChI=1S/2C4H6N2O.C2H6/c5-1-4-2-6-7-3-4;5-3-4-6-1-2-7-4;1-2/h2-3H,1,5H2;1-2H,3,5H2;1-2H3
InChIKeyYEPBPGVRLKHSGS-UHFFFAOYSA-N
XLogP1.29
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine?
The IUPAC name of ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine (CID 145008048) is ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine.
What is the SMILES notation for ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine?
The canonical SMILES for ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine is CC.NCc1cnoc1.NCc1ncco1.
What is the InChIKey of ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine?
The InChIKey is YEPBPGVRLKHSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2O.C2H6/c5-1-4-2-6-7-3-4;5-3-4-6-1-2-7-4;1-2/h2-3H,1,5H2;1-2H,3,5H2;1-2H3.
What are the key properties of ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine?
ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine has a molecular weight of 226.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2-oxazol-4-ylmethanamine;1,3-oxazol-2-ylmethanamine is sourced from PubChem (CID 145008048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).