2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine

C16H14N4O — CID 63311832

IUPAC2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCc3cnn4ccccc34)ccc2o1
InChIInChI=1S/C16H14N4O/c1-11-19-14-8-13(5-6-16(14)21-11)17-9-12-10-18-20-7-3-2-4-15(12)20/h2-8,10,17H,9H2,1H3
InChIKeyPRFQMJISOHCCGP-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.40
Rot. Bonds3

About 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine

2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 63311832) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID63311832
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCc3cnn4ccccc34)ccc2o1
InChIInChI=1S/C16H14N4O/c1-11-19-14-8-13(5-6-16(14)21-11)17-9-12-10-18-20-7-3-2-4-15(12)20/h2-8,10,17H,9H2,1H3
InChIKeyPRFQMJISOHCCGP-UHFFFAOYSA-N
XLogP3.40
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine (CID 63311832) is 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine is Cc1nc2cc(NCc3cnn4ccccc34)ccc2o1.
What is the InChIKey of 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is PRFQMJISOHCCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-19-14-8-13(5-6-16(14)21-11)17-9-12-10-18-20-7-3-2-4-15(12)20/h2-8,10,17H,9H2,1H3.
What are the key properties of 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine?
2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 278.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 63311832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).