N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H17N5O2 — CID 44624258

IUPACN-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(-c3ccc4oc(-c5ccccc5)nc4c3)cccn2n1)C1CC1
InChIInChI=1S/C23H17N5O2/c29-21(14-8-9-14)26-23-25-20-17(7-4-12-28(20)27-23)16-10-11-19-18(13-16)24-22(30-19)15-5-2-1-3-6-15/h1-7,10-14H,8-9H2,(H,26,27,29)
InChIKeyIZXHGNCZHGMQCK-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.55
Rot. Bonds4

About N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44624258) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44624258
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC NameN-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(-c3ccc4oc(-c5ccccc5)nc4c3)cccn2n1)C1CC1
InChIInChI=1S/C23H17N5O2/c29-21(14-8-9-14)26-23-25-20-17(7-4-12-28(20)27-23)16-10-11-19-18(13-16)24-22(30-19)15-5-2-1-3-6-15/h1-7,10-14H,8-9H2,(H,26,27,29)
InChIKeyIZXHGNCZHGMQCK-UHFFFAOYSA-N
XLogP4.55
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44624258) is N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2c(-c3ccc4oc(-c5ccccc5)nc4c3)cccn2n1)C1CC1.
What is the InChIKey of N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is IZXHGNCZHGMQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c29-21(14-8-9-14)26-23-25-20-17(7-4-12-28(20)27-23)16-10-11-19-18(13-16)24-22(30-19)15-5-2-1-3-6-15/h1-7,10-14H,8-9H2,(H,26,27,29).
What are the key properties of N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-phenyl-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44624258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).