N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide

C17H17N3O3 — CID 134797621

IUPACN-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C17H17N3O3/c1-22-9-3-8-19-16(21)12-5-6-15-14(10-12)20-17(23-15)13-4-2-7-18-11-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,21)
InChIKeyTZALFJHPKSRJQP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.66
Rot. Bonds6

About N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide

N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 134797621) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide
PubChem CID134797621
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc2oc(-c3cccnc3)nc2c1
InChIInChI=1S/C17H17N3O3/c1-22-9-3-8-19-16(21)12-5-6-15-14(10-12)20-17(23-15)13-4-2-7-18-11-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,21)
InChIKeyTZALFJHPKSRJQP-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-4-yl-1,3-benzoxazole-6-carboxamide
CID 134797727
N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
CID 134798057
N-(2-methoxyethyl)-2-(6-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134799855
2-hydroxy-N-[5-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pentyl]benzamide
CID 90300807
prop-2-ynyl 2-pyridin-3-yl-1,3-benzoxazole-5-carboxylate
CID 95909353
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151
2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
CID 100786779
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 130446005

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide (CID 134797621) is N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide is COCCCNC(=O)c1ccc2oc(-c3cccnc3)nc2c1.
What is the InChIKey of N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is TZALFJHPKSRJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-9-3-8-19-16(21)12-5-6-15-14(10-12)20-17(23-15)13-4-2-7-18-11-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,21).
What are the key properties of N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide?
N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-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-3-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 134797621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).