N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide

C15H19N3O3S — CID 4248802

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide
SMILESCCCCCN(CC(=O)Nc1ccon1)C(=O)c1cccs1
InChIInChI=1S/C15H19N3O3S/c1-2-3-4-8-18(15(20)12-6-5-10-22-12)11-14(19)16-13-7-9-21-17-13/h5-7,9-10H,2-4,8,11H2,1H3,(H,16,17,19)
InChIKeyRAVJYIBUQYMUSC-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide (PubChem CID 4248802) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide
PubChem CID4248802
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide
SMILESCCCCCN(CC(=O)Nc1ccon1)C(=O)c1cccs1
InChIInChI=1S/C15H19N3O3S/c1-2-3-4-8-18(15(20)12-6-5-10-22-12)11-14(19)16-13-7-9-21-17-13/h5-7,9-10H,2-4,8,11H2,1H3,(H,16,17,19)
InChIKeyRAVJYIBUQYMUSC-UHFFFAOYSA-N
XLogP3.01
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.01
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-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 3568028
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 42769131
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
CID 42770937
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42771679
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide (CID 4248802) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide is CCCCCN(CC(=O)Nc1ccon1)C(=O)c1cccs1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide?
The InChIKey is RAVJYIBUQYMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-3-4-8-18(15(20)12-6-5-10-22-12)11-14(19)16-13-7-9-21-17-13/h5-7,9-10H,2-4,8,11H2,1H3,(H,16,17,19).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide is sourced from PubChem (CID 4248802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).