ethane;1,3-oxazole

C9H21NO — CID 54097019

IUPACethane;1,3-oxazole
SMILESCC.CC.CC.c1cocn1
InChIInChI=1S/C3H3NO.3C2H6/c1-2-5-3-4-1;3*1-2/h1-3H;3*1-2H3
InChIKeyMXVDGVLXKATJQC-UHFFFAOYSA-N
MW159.27 g/mol
LogP3.75
Rot. Bonds

About ethane;1,3-oxazole

ethane;1,3-oxazole (PubChem CID 54097019) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;1,3-oxazole.

Molecular Properties

Compound Nameethane;1,3-oxazole
PubChem CID54097019
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;1,3-oxazole
SMILESCC.CC.CC.c1cocn1
InChIInChI=1S/C3H3NO.3C2H6/c1-2-5-3-4-1;3*1-2/h1-3H;3*1-2H3
InChIKeyMXVDGVLXKATJQC-UHFFFAOYSA-N
XLogP3.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3-oxazole?
The IUPAC name of ethane;1,3-oxazole (CID 54097019) is ethane;1,3-oxazole.
What is the SMILES notation for ethane;1,3-oxazole?
The canonical SMILES for ethane;1,3-oxazole is CC.CC.CC.c1cocn1.
What is the InChIKey of ethane;1,3-oxazole?
The InChIKey is MXVDGVLXKATJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.3C2H6/c1-2-5-3-4-1;3*1-2/h1-3H;3*1-2H3.
What are the key properties of ethane;1,3-oxazole?
ethane;1,3-oxazole has a molecular weight of 159.27 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-oxazole is sourced from PubChem (CID 54097019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).