ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine

C13H24N2O — CID 143809198

IUPACethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCC.CC.CC.Cc1noc2ccncc12
InChIInChI=1S/C7H6N2O.3C2H6/c1-5-6-4-8-3-2-7(6)10-9-5;3*1-2/h2-4H,1H3;3*1-2H3
InChIKeyCJOREXZWQIBMJV-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.61
Rot. Bonds

About ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine

ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 143809198) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine
PubChem CID143809198
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCC.CC.CC.Cc1noc2ccncc12
InChIInChI=1S/C7H6N2O.3C2H6/c1-5-6-4-8-3-2-7(6)10-9-5;3*1-2/h2-4H,1H3;3*1-2H3
InChIKeyCJOREXZWQIBMJV-UHFFFAOYSA-N
XLogP4.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,4E)-1-(5-methyl-1,2-oxazol-3-yl)-5-pyridin-2-ylpenta-1,4-dien-3-one
CID 145976878
Pyridinium, 1-methyl-4-(3-methyl-5-isoxazolyl)-, chloride (1:1)
CID 29221
5-Methyl-3-(1-methylpyridin-4(1H)-ylidene)-3H-1,2-oxazol-1-ium chloride
CID 205822
3-Ethyl-5-(1-ethylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium iodide
CID 205826
3-Ethyl-5-(1-methylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium chloride
CID 209718
5-(1,3-Dimethylpyridin-4(1H)-ylidene)-3-methyl-5H-1,2-oxazol-1-ium chloride
CID 209720
Pyridinium, 1-ethyl-4-(3-methyl-5-isoxazolyl)-, iodide
CID 209724
3-Methyl-5-(1-propylpyridin-4(1H)-ylidene)-5H-1,2-oxazol-1-ium bromide
CID 209726
Pyridinium, 1-allyl-4-(3-methyl-5-isoxazolyl)-, chloride
CID 209728
Pyridinium, 1-cyclopropylmethyl-4-(3-methyl-5-isoxazolyl)-, bromide
CID 209730
Pyridinium, 1-methyl-4-(5-trifluoromethyl-3-isoxazolyl)-, chloride
CID 209732
3-(Pyridin-4-yl)-1,2-oxazol-5-amine
CID 12717854

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine (CID 143809198) is ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine is CC.CC.CC.Cc1noc2ccncc12.
What is the InChIKey of ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is CJOREXZWQIBMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.3C2H6/c1-5-6-4-8-3-2-7(6)10-9-5;3*1-2/h2-4H,1H3;3*1-2H3.
What are the key properties of ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine?
ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 224.35 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 143809198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).