2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide

C24H23N3O3 — CID 90300807

IUPAC2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide
SMILESO=C(NCCCCCc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1O
InChIInChI=1S/C24H23N3O3/c28-21-10-4-3-9-19(21)23(29)26-14-5-1-2-7-17-11-12-22-20(15-17)27-24(30-22)18-8-6-13-25-16-18/h3-4,6,8-13,15-16,28H,1-2,5,7,14H2,(H,26,29)
InChIKeyDNOHBUMCPCXOOW-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.74
Rot. Bonds8

About 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide

2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide (PubChem CID 90300807) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide
PubChem CID90300807
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide
SMILESO=C(NCCCCCc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1O
InChIInChI=1S/C24H23N3O3/c28-21-10-4-3-9-19(21)23(29)26-14-5-1-2-7-17-11-12-22-20(15-17)27-24(30-22)18-8-6-13-25-16-18/h3-4,6,8-13,15-16,28H,1-2,5,7,14H2,(H,26,29)
InChIKeyDNOHBUMCPCXOOW-UHFFFAOYSA-N
XLogP4.74
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
CID 134798057
N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide
CID 134797621
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
2-fluoro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2281577
(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol
CID 97132954
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
2-pyridin-3-yl-1,3-benzoxazole-5-carbaldehyde
CID 82158868
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 130446005
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 2994943
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide?
The IUPAC name of 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide (CID 90300807) is 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide is O=C(NCCCCCc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide?
The InChIKey is DNOHBUMCPCXOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-21-10-4-3-9-19(21)23(29)26-14-5-1-2-7-17-11-12-22-20(15-17)27-24(30-22)18-8-6-13-25-16-18/h3-4,6,8-13,15-16,28H,1-2,5,7,14H2,(H,26,29).
What are the key properties of 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide?
2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide is sourced from PubChem (CID 90300807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).