N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C18H20N2O2S — CID 32560857

IUPACN-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)c1cc(C2CC2)on1
InChIInChI=1S/C18H20N2O2S/c21-18(15-11-16(22-20-15)12-9-10-12)19-14-7-3-4-8-17(14)23-13-5-1-2-6-13/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,21)
InChIKeyMQUAFBGAULTWJQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.84
Rot. Bonds5

About N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 32560857) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID32560857
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)c1cc(C2CC2)on1
InChIInChI=1S/C18H20N2O2S/c21-18(15-11-16(22-20-15)12-9-10-12)19-14-7-3-4-8-17(14)23-13-5-1-2-6-13/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,21)
InChIKeyMQUAFBGAULTWJQ-UHFFFAOYSA-N
XLogP4.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 32560857) is N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(Nc1ccccc1SC1CCCC1)c1cc(C2CC2)on1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is MQUAFBGAULTWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(15-11-16(22-20-15)12-9-10-12)19-14-7-3-4-8-17(14)23-13-5-1-2-6-13/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,21).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 32560857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).