N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

C13H15N3O3S — CID 32921457

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCc1cc(NC(=O)CCCNC(=O)c2ccsc2)no1
InChIInChI=1S/C13H15N3O3S/c1-9-7-11(16-19-9)15-12(17)3-2-5-14-13(18)10-4-6-20-8-10/h4,6-8H,2-3,5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyHOQLSRNIPVSBSU-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.19
Rot. Bonds6

About N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 32921457) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID32921457
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
SMILESCc1cc(NC(=O)CCCNC(=O)c2ccsc2)no1
InChIInChI=1S/C13H15N3O3S/c1-9-7-11(16-19-9)15-12(17)3-2-5-14-13(18)10-4-6-20-8-10/h4,6-8H,2-3,5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyHOQLSRNIPVSBSU-UHFFFAOYSA-N
XLogP2.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide (CID 32921457) is N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is Cc1cc(NC(=O)CCCNC(=O)c2ccsc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is HOQLSRNIPVSBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-7-11(16-19-9)15-12(17)3-2-5-14-13(18)10-4-6-20-8-10/h4,6-8H,2-3,5H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 32921457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).