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

C15H19N3O4S — CID 3568028

IUPACN-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOCCCN(CC(=O)Nc1ccon1)C(=O)c1cccs1
InChIInChI=1S/C15H19N3O4S/c1-2-21-8-4-7-18(15(20)12-5-3-10-23-12)11-14(19)16-13-6-9-22-17-13/h3,5-6,9-10H,2,4,7-8,11H2,1H3,(H,16,17,19)
InChIKeyWVZPGNOWNCLIKV-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.24
Rot. Bonds9

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

N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3568028) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3568028
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOCCCN(CC(=O)Nc1ccon1)C(=O)c1cccs1
InChIInChI=1S/C15H19N3O4S/c1-2-21-8-4-7-18(15(20)12-5-3-10-23-12)11-14(19)16-13-6-9-22-17-13/h3,5-6,9-10H,2,4,7-8,11H2,1H3,(H,16,17,19)
InChIKeyWVZPGNOWNCLIKV-UHFFFAOYSA-N
XLogP2.24
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.24
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

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide
CID 4248802
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-phenylbenzamide
CID 4151736
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42771679
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 42771710
N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3649649
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 42769131
2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4205625
2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771761
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4138130
4-chloro-N-(3-ethoxypropyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3431758
methyl 5-[3-methoxypropyl-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 4017704

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 3568028) is N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide is CCOCCCN(CC(=O)Nc1ccon1)C(=O)c1cccs1.
What is the InChIKey of N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is WVZPGNOWNCLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-21-8-4-7-18(15(20)12-5-3-10-23-12)11-14(19)16-13-6-9-22-17-13/h3,5-6,9-10H,2,4,7-8,11H2,1H3,(H,16,17,19).
What are the key properties of N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3568028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).