4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide

C22H19N3O2 — CID 138674485

IUPAC4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
SMILESO=C(CCCc1ccc(-c2ccc3ocnc3c2)cc1)Nc1cccnc1
InChIInChI=1S/C22H19N3O2/c26-22(25-19-4-2-12-23-14-19)5-1-3-16-6-8-17(9-7-16)18-10-11-21-20(13-18)24-15-27-21/h2,4,6-15H,1,3,5H2,(H,25,26)
InChIKeyMVRWKQDMDUZZKD-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.85
Rot. Bonds6

About 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide

4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide (PubChem CID 138674485) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
PubChem CID138674485
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
SMILESO=C(CCCc1ccc(-c2ccc3ocnc3c2)cc1)Nc1cccnc1
InChIInChI=1S/C22H19N3O2/c26-22(25-19-4-2-12-23-14-19)5-1-3-16-6-8-17(9-7-16)18-10-11-21-20(13-18)24-15-27-21/h2,4,6-15H,1,3,5H2,(H,25,26)
InChIKeyMVRWKQDMDUZZKD-UHFFFAOYSA-N
XLogP4.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674422
N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
CID 138674390
4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674494
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674503
4-(1,3-benzoxazol-5-yl)butanoic acid
CID 82492001
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 164706505
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide (CID 138674485) is 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide is O=C(CCCc1ccc(-c2ccc3ocnc3c2)cc1)Nc1cccnc1.
What is the InChIKey of 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide?
The InChIKey is MVRWKQDMDUZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-22(25-19-4-2-12-23-14-19)5-1-3-16-6-8-17(9-7-16)18-10-11-21-20(13-18)24-15-27-21/h2,4,6-15H,1,3,5H2,(H,25,26).
What are the key properties of 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide?
4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide has a molecular weight of 357.41 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 138674485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).