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

C22H14ClN5O2 — CID 1017703

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C22H14ClN5O2/c23-18-10-9-16(28-12-24-25-13-28)11-17(18)21(29)26-15-7-5-14(6-8-15)22-27-19-3-1-2-4-20(19)30-22/h1-13H,(H,26,29)
InChIKeySGAUCGKETCIVDO-UHFFFAOYSA-N
MW415.84 g/mol
LogP4.98
Rot. Bonds4

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 1017703) has the molecular formula C22H14ClN5O2 and a molecular weight of 415.84 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID1017703
Molecular FormulaC22H14ClN5O2
Molecular Weight415.84 g/mol
Exact Mass415.08
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C22H14ClN5O2/c23-18-10-9-16(28-12-24-25-13-28)11-17(18)21(29)26-15-7-5-14(6-8-15)22-27-19-3-1-2-4-20(19)30-22/h1-13H,(H,26,29)
InChIKeySGAUCGKETCIVDO-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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Related Compounds

2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
2-(3,4-dichlorophenyl)-5-(1,2,4-triazol-4-yl)-1,3-benzoxazole
CID 50881757
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3995493
3-[[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6955830
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4674669
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 22777282
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 3112274

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide (CID 1017703) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-n2cnnc2)ccc1Cl.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is SGAUCGKETCIVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5O2/c23-18-10-9-16(28-12-24-25-13-28)11-17(18)21(29)26-15-7-5-14(6-8-15)22-27-19-3-1-2-4-20(19)30-22/h1-13H,(H,26,29).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-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 N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 1017703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).