N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide

C19H19Cl2N5O3S — CID 67996449

IUPACN-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C3CC3)oc2-c2ccnc(N)n2)c1Cl
InChIInChI=1S/C19H19Cl2N5O3S/c1-2-7-30(27,28)26-14-9-11(20)8-12(15(14)21)16-17(13-5-6-23-19(22)24-13)29-18(25-16)10-3-4-10/h5-6,8-10,26H,2-4,7H2,1H3,(H2,22,23,24)
InChIKeyDDUWRZARRSESMJ-UHFFFAOYSA-N
MW468.37 g/mol
LogP4.72
Rot. Bonds7

About N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide

N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide (PubChem CID 67996449) has the molecular formula C19H19Cl2N5O3S and a molecular weight of 468.37 g/mol. Its IUPAC name is N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide
PubChem CID67996449
Molecular FormulaC19H19Cl2N5O3S
Molecular Weight468.37 g/mol
Exact Mass467.06
IUPAC NameN-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C3CC3)oc2-c2ccnc(N)n2)c1Cl
InChIInChI=1S/C19H19Cl2N5O3S/c1-2-7-30(27,28)26-14-9-11(20)8-12(15(14)21)16-17(13-5-6-23-19(22)24-13)29-18(25-16)10-3-4-10/h5-6,8-10,26H,2-4,7H2,1H3,(H2,22,23,24)
InChIKeyDDUWRZARRSESMJ-UHFFFAOYSA-N
XLogP4.72
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide (CID 67996449) is N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C3CC3)oc2-c2ccnc(N)n2)c1Cl.
What is the InChIKey of N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide?
The InChIKey is DDUWRZARRSESMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3S/c1-2-7-30(27,28)26-14-9-11(20)8-12(15(14)21)16-17(13-5-6-23-19(22)24-13)29-18(25-16)10-3-4-10/h5-6,8-10,26H,2-4,7H2,1H3,(H2,22,23,24).
What are the key properties of N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide?
N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide has a molecular weight of 468.37 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-aminopyrimidin-4-yl)-2-cyclopropyl-1,3-oxazol-4-yl]-2,5-dichlorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 67996449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).