N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide

C17H17N3O3 — CID 134797727

IUPACN-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
SMILESCOCCCNC(=O)c1ccc2nc(-c3ccncc3)oc2c1
InChIInChI=1S/C17H17N3O3/c1-22-10-2-7-19-16(21)13-3-4-14-15(11-13)23-17(20-14)12-5-8-18-9-6-12/h3-6,8-9,11H,2,7,10H2,1H3,(H,19,21)
InChIKeyYPKUHSXZZJLGHQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.66
Rot. Bonds6

About N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide

N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 134797727) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
PubChem CID134797727
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
SMILESCOCCCNC(=O)c1ccc2nc(-c3ccncc3)oc2c1
InChIInChI=1S/C17H17N3O3/c1-22-10-2-7-19-16(21)13-3-4-14-15(11-13)23-17(20-14)12-5-8-18-9-6-12/h3-6,8-9,11H,2,7,10H2,1H3,(H,19,21)
InChIKeyYPKUHSXZZJLGHQ-UHFFFAOYSA-N
XLogP2.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide
CID 134797621
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide
CID 134799037
N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
CID 134798057
N-[3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl]-2-phenyl-1,3-benzoxazole-6-carboxamide
CID 100624637
N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide
CID 134799158
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765255
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
N-(2-methoxyethyl)-2-(6-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134799855
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
CID 149261528
2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 24790294

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide (CID 134797727) is N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide is COCCCNC(=O)c1ccc2nc(-c3ccncc3)oc2c1.
What is the InChIKey of N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is YPKUHSXZZJLGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-10-2-7-19-16(21)13-3-4-14-15(11-13)23-17(20-14)12-5-8-18-9-6-12/h3-6,8-9,11H,2,7,10H2,1H3,(H,19,21).
What are the key properties of N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide?
N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 134797727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).