N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

C25H32N6O5 — CID 68505896

IUPACN-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(C)nc(NCC4CC4)n3)n2)cc(C)c1OCC(O)CNC(=O)CO
InChIInChI=1S/C25H32N6O5/c1-4-17-9-18(7-14(2)22(17)35-13-19(33)11-26-21(34)12-32)23-30-24(36-31-23)20-8-15(3)28-25(29-20)27-10-16-5-6-16/h7-9,16,19,32-33H,4-6,10-13H2,1-3H3,(H,26,34)(H,27,28,29)
InChIKeyKOOTXJIHNPGZDH-UHFFFAOYSA-N
MW496.57 g/mol
LogP2.04
Rot. Bonds12

About N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (PubChem CID 68505896) has the molecular formula C25H32N6O5 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
PubChem CID68505896
Molecular FormulaC25H32N6O5
Molecular Weight496.57 g/mol
Exact Mass496.24
IUPAC NameN-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
SMILESCCc1cc(-c2noc(-c3cc(C)nc(NCC4CC4)n3)n2)cc(C)c1OCC(O)CNC(=O)CO
InChIInChI=1S/C25H32N6O5/c1-4-17-9-18(7-14(2)22(17)35-13-19(33)11-26-21(34)12-32)23-30-24(36-31-23)20-8-15(3)28-25(29-20)27-10-16-5-6-16/h7-9,16,19,32-33H,4-6,10-13H2,1-3H3,(H,26,34)(H,27,28,29)
InChIKeyKOOTXJIHNPGZDH-UHFFFAOYSA-N
XLogP2.04
TPSA155.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide (CID 68505896) is N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is CCc1cc(-c2noc(-c3cc(C)nc(NCC4CC4)n3)n2)cc(C)c1OCC(O)CNC(=O)CO.
What is the InChIKey of N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
The InChIKey is KOOTXJIHNPGZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O5/c1-4-17-9-18(7-14(2)22(17)35-13-19(33)11-26-21(34)12-32)23-30-24(36-31-23)20-8-15(3)28-25(29-20)27-10-16-5-6-16/h7-9,16,19,32-33H,4-6,10-13H2,1-3H3,(H,26,34)(H,27,28,29).
What are the key properties of N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide?
N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide has a molecular weight of 496.57 g/mol, XLogP of 2.04, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[5-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide is sourced from PubChem (CID 68505896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).