2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide

C22H14ClN5O2 — CID 1017698

IUPAC2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C22H14ClN5O2/c23-18-8-7-16(28-12-24-25-13-28)11-17(18)21(29)26-15-6-9-20-19(10-15)27-22(30-20)14-4-2-1-3-5-14/h1-13H,(H,26,29)
InChIKeyLAAMPAUEFRHAQM-UHFFFAOYSA-N
MW415.84 g/mol
LogP4.98
Rot. Bonds4

About 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 1017698) has the molecular formula C22H14ClN5O2 and a molecular weight of 415.84 g/mol. Its IUPAC name is 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID1017698
Molecular FormulaC22H14ClN5O2
Molecular Weight415.84 g/mol
Exact Mass415.08
IUPAC Name2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C22H14ClN5O2/c23-18-8-7-16(28-12-24-25-13-28)11-17(18)21(29)26-15-6-9-20-19(10-15)27-22(30-20)14-4-2-1-3-5-14/h1-13H,(H,26,29)
InChIKeyLAAMPAUEFRHAQM-UHFFFAOYSA-N
XLogP4.98
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.84
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide (CID 1017698) is 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(-n2cnnc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is LAAMPAUEFRHAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5O2/c23-18-8-7-16(28-12-24-25-13-28)11-17(18)21(29)26-15-6-9-20-19(10-15)27-22(30-20)14-4-2-1-3-5-14/h1-13H,(H,26,29).
What are the key properties of 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 415.84 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 1017698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).