2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide

C19H25N3O5 — CID 42770937

IUPAC2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
SMILESCCCCCN(CC(=O)Nc1ccon1)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C19H25N3O5/c1-4-5-6-11-22(13-17(23)20-16-10-12-27-21-16)19(24)18-14(25-2)8-7-9-15(18)26-3/h7-10,12H,4-6,11,13H2,1-3H3,(H,20,21,23)
InChIKeyXNAXMMPFUFJCBX-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.96
Rot. Bonds10

About 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide

2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide (PubChem CID 42770937) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
PubChem CID42770937
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
SMILESCCCCCN(CC(=O)Nc1ccon1)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C19H25N3O5/c1-4-5-6-11-22(13-17(23)20-16-10-12-27-21-16)19(24)18-14(25-2)8-7-9-15(18)26-3/h7-10,12H,4-6,11,13H2,1-3H3,(H,20,21,23)
InChIKeyXNAXMMPFUFJCBX-UHFFFAOYSA-N
XLogP2.96
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7218439
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide
CID 4248802
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769290
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 5064786
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 5176062

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide (CID 42770937) is 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide is CCCCCN(CC(=O)Nc1ccon1)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide?
The InChIKey is XNAXMMPFUFJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-4-5-6-11-22(13-17(23)20-16-10-12-27-21-16)19(24)18-14(25-2)8-7-9-15(18)26-3/h7-10,12H,4-6,11,13H2,1-3H3,(H,20,21,23).
What are the key properties of 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide?
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide is sourced from PubChem (CID 42770937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).