N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide

C17H11N3O3 — CID 18587263

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccno1
InChIInChI=1S/C17H11N3O3/c21-16(15-8-9-18-23-15)19-12-5-3-4-11(10-12)17-20-13-6-1-2-7-14(13)22-17/h1-10H,(H,19,21)
InChIKeyNOQLLMPYIPLINN-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.74
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 18587263) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID18587263
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccno1
InChIInChI=1S/C17H11N3O3/c21-16(15-8-9-18-23-15)19-12-5-3-4-11(10-12)17-20-13-6-1-2-7-14(13)22-17/h1-10H,(H,19,21)
InChIKeyNOQLLMPYIPLINN-UHFFFAOYSA-N
XLogP3.74
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
6-Nitro-2-phenyl-1,3-benzoxazole
CID 3092936
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
CID 3116398
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 774880
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
6-(3-Benzooxazol-2-yl-phenyl)-pyrrolo[3,4-b]pyridine-5,7-dione
CID 649463
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 777559
3-(5-Ethyl-benzooxazol-2-yl)-phenylamine
CID 735963
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 738665
2-phenyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)acetamide
CID 876095

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide (CID 18587263) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccno1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NOQLLMPYIPLINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-16(15-8-9-18-23-15)19-12-5-3-4-11(10-12)17-20-13-6-1-2-7-14(13)22-17/h1-10H,(H,19,21).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18587263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).