6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide

C26H33N5O5 — CID 90426382

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCNCC(O)COc1cccc(-c2nc(C(=O)NCC3CCOCC3)cc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C26H33N5O5/c1-16-24(17(2)36-31-16)22-12-23(26(33)28-13-18-7-9-34-10-8-18)30-25(29-22)19-5-4-6-21(11-19)35-15-20(32)14-27-3/h4-6,11-12,18,20,27,32H,7-10,13-15H2,1-3H3,(H,28,33)
InChIKeyKDZSOXZCSUEMCS-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.53
Rot. Bonds10

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 90426382) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID90426382
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCNCC(O)COc1cccc(-c2nc(C(=O)NCC3CCOCC3)cc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C26H33N5O5/c1-16-24(17(2)36-31-16)22-12-23(26(33)28-13-18-7-9-34-10-8-18)30-25(29-22)19-5-4-6-21(11-19)35-15-20(32)14-27-3/h4-6,11-12,18,20,27,32H,7-10,13-15H2,1-3H3,(H,28,33)
InChIKeyKDZSOXZCSUEMCS-UHFFFAOYSA-N
XLogP2.53
TPSA131.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide (CID 90426382) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide is CNCC(O)COc1cccc(-c2nc(C(=O)NCC3CCOCC3)cc(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is KDZSOXZCSUEMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-16-24(17(2)36-31-16)22-12-23(26(33)28-13-18-7-9-34-10-8-18)30-25(29-22)19-5-4-6-21(11-19)35-15-20(32)14-27-3/h4-6,11-12,18,20,27,32H,7-10,13-15H2,1-3H3,(H,28,33).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-(oxan-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 90426382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).