N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide

C16H19N3O3 — CID 71973649

IUPACN-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(NCc2ccon2)cc1
InChIInChI=1S/C16H19N3O3/c20-16(18-14-5-8-21-9-6-14)12-1-3-13(4-2-12)17-11-15-7-10-22-19-15/h1-4,7,10,14,17H,5-6,8-9,11H2,(H,18,20)
InChIKeyWLQACTKVRYGNQA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.20
Rot. Bonds5

About N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide

N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide (PubChem CID 71973649) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide
PubChem CID71973649
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(NCc2ccon2)cc1
InChIInChI=1S/C16H19N3O3/c20-16(18-14-5-8-21-9-6-14)12-1-3-13(4-2-12)17-11-15-7-10-22-19-15/h1-4,7,10,14,17H,5-6,8-9,11H2,(H,18,20)
InChIKeyWLQACTKVRYGNQA-UHFFFAOYSA-N
XLogP2.20
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-yl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178209
N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
4-[(6-bromo-2-pyridinyl)methylamino]-N-cyclopropylbenzamide
CID 115937911
N-cyclopropyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757581
4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
CID 119338734
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(oxan-4-yl)benzamide
CID 43610520
N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
CID 63737546
N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 136517618
4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
CID 119338738
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43687516
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide?
The IUPAC name of N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide (CID 71973649) is N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide.
What is the SMILES notation for N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide?
The canonical SMILES for N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide is O=C(NC1CCOCC1)c1ccc(NCc2ccon2)cc1.
What is the InChIKey of N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide?
The InChIKey is WLQACTKVRYGNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(18-14-5-8-21-9-6-14)12-1-3-13(4-2-12)17-11-15-7-10-22-19-15/h1-4,7,10,14,17H,5-6,8-9,11H2,(H,18,20).
What are the key properties of N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide?
N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide has a molecular weight of 301.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-(1,2-oxazol-3-ylmethylamino)benzamide is sourced from PubChem (CID 71973649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).