N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide

C14H16N4O3S — CID 26278203

IUPACN-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnn(CC(=O)N2CCCCO2)c1)c1ccsc1
InChIInChI=1S/C14H16N4O3S/c19-13(18-4-1-2-5-21-18)9-17-8-12(7-15-17)16-14(20)11-3-6-22-10-11/h3,6-8,10H,1-2,4-5,9H2,(H,16,20)
InChIKeyQTOZBVIMXDILGP-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.75
Rot. Bonds4

About N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide

N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide (PubChem CID 26278203) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide
PubChem CID26278203
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnn(CC(=O)N2CCCCO2)c1)c1ccsc1
InChIInChI=1S/C14H16N4O3S/c19-13(18-4-1-2-5-21-18)9-17-8-12(7-15-17)16-14(20)11-3-6-22-10-11/h3,6-8,10H,1-2,4-5,9H2,(H,16,20)
InChIKeyQTOZBVIMXDILGP-UHFFFAOYSA-N
XLogP1.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide (CID 26278203) is N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide is O=C(Nc1cnn(CC(=O)N2CCCCO2)c1)c1ccsc1.
What is the InChIKey of N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide?
The InChIKey is QTOZBVIMXDILGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c19-13(18-4-1-2-5-21-18)9-17-8-12(7-15-17)16-14(20)11-3-6-22-10-11/h3,6-8,10H,1-2,4-5,9H2,(H,16,20).
What are the key properties of N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide?
N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(oxazinan-2-yl)-2-oxoethyl]pyrazol-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 26278203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).