2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide

C22H26N4O3 — CID 52879974

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide
SMILESCCCOc1ncccc1CNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1
InChIInChI=1S/C22H26N4O3/c1-5-13-28-19-15(9-8-12-23-19)14-24-18(27)16-10-6-7-11-17(16)20-25-21(26-29-20)22(2,3)4/h6-12H,5,13-14H2,1-4H3,(H,24,27)
InChIKeyORBXJCVHHQTAMJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.15
Rot. Bonds7

About 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide (PubChem CID 52879974) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide
PubChem CID52879974
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide
SMILESCCCOc1ncccc1CNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1
InChIInChI=1S/C22H26N4O3/c1-5-13-28-19-15(9-8-12-23-19)14-24-18(27)16-10-6-7-11-17(16)20-25-21(26-29-20)22(2,3)4/h6-12H,5,13-14H2,1-4H3,(H,24,27)
InChIKeyORBXJCVHHQTAMJ-UHFFFAOYSA-N
XLogP4.15
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

N-(3-aminobutyl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
CID 119499680
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 29078211
(2S)-2-[[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]hexanoic acid
CID 120614642
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
2-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]benzamide
CID 60616136
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid
CID 50959569
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116743995
(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 126829299
2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 71844910

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide (CID 52879974) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide is CCCOc1ncccc1CNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is ORBXJCVHHQTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-5-13-28-19-15(9-8-12-23-19)14-24-18(27)16-10-6-7-11-17(16)20-25-21(26-29-20)22(2,3)4/h6-12H,5,13-14H2,1-4H3,(H,24,27).
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-propoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 52879974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).