N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide

C14H15N3O4S — CID 71935395

IUPACN-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide
SMILESCc1cc(OCC(=O)Nc2sccc2C(=O)NC2CC2)no1
InChIInChI=1S/C14H15N3O4S/c1-8-6-12(17-21-8)20-7-11(18)16-14-10(4-5-22-14)13(19)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyKUOWDTDBDBZUSE-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.95
Rot. Bonds6

About N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide

N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide (PubChem CID 71935395) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide
PubChem CID71935395
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide
SMILESCc1cc(OCC(=O)Nc2sccc2C(=O)NC2CC2)no1
InChIInChI=1S/C14H15N3O4S/c1-8-6-12(17-21-8)20-7-11(18)16-14-10(4-5-22-14)13(19)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,19)(H,16,18)
InChIKeyKUOWDTDBDBZUSE-UHFFFAOYSA-N
XLogP1.95
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide (CID 71935395) is N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide is Cc1cc(OCC(=O)Nc2sccc2C(=O)NC2CC2)no1.
What is the InChIKey of N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is KUOWDTDBDBZUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-8-6-12(17-21-8)20-7-11(18)16-14-10(4-5-22-14)13(19)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide?
N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 71935395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).