ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine

C15H17N5O — CID 144916075

IUPACethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine
SMILESCC.Cc1nc2ccncc2o1.c1ncc2cc[nH]c2n1
InChIInChI=1S/C7H6N2O.C6H5N3.C2H6/c1-5-9-6-2-3-8-4-7(6)10-5;1-2-8-6-5(1)3-7-4-9-6;1-2/h2-4H,1H3;1-4H,(H,7,8,9);1-2H3
InChIKeyYCCXLEKBZFXMLY-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.52
Rot. Bonds

About ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine

ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 144916075) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine
PubChem CID144916075
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Nameethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine
SMILESCC.Cc1nc2ccncc2o1.c1ncc2cc[nH]c2n1
InChIInChI=1S/C7H6N2O.C6H5N3.C2H6/c1-5-9-6-2-3-8-4-7(6)10-5;1-2-8-6-5(1)3-7-4-9-6;1-2/h2-4H,1H3;1-4H,(H,7,8,9);1-2H3
InChIKeyYCCXLEKBZFXMLY-UHFFFAOYSA-N
XLogP3.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine (CID 144916075) is ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine is CC.Cc1nc2ccncc2o1.c1ncc2cc[nH]c2n1.
What is the InChIKey of ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is YCCXLEKBZFXMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.C6H5N3.C2H6/c1-5-9-6-2-3-8-4-7(6)10-5;1-2-8-6-5(1)3-7-4-9-6;1-2/h2-4H,1H3;1-4H,(H,7,8,9);1-2H3.
What are the key properties of ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine?
ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 283.34 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-[1,3]oxazolo[5,4-c]pyridine;7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 144916075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).