N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide

C26H32N4O3 — CID 110238885

IUPACN-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)cc1
InChIInChI=1S/C26H32N4O3/c1-16-5-11-22(12-6-16)32-18(3)26(31)28-14-20-7-9-21(10-8-20)25-23(15-27-19(4)29-25)24-13-17(2)30-33-24/h5-6,11-13,15,18,20-21H,7-10,14H2,1-4H3,(H,28,31)
InChIKeyVEIVDJNVXHMMRN-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.91
Rot. Bonds7

About N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide

N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide (PubChem CID 110238885) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide
PubChem CID110238885
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)cc1
InChIInChI=1S/C26H32N4O3/c1-16-5-11-22(12-6-16)32-18(3)26(31)28-14-20-7-9-21(10-8-20)25-23(15-27-19(4)29-25)24-13-17(2)30-33-24/h5-6,11-13,15,18,20-21H,7-10,14H2,1-4H3,(H,28,31)
InChIKeyVEIVDJNVXHMMRN-UHFFFAOYSA-N
XLogP4.91
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide (CID 110238885) is N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NCC2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)cc1.
What is the InChIKey of N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is VEIVDJNVXHMMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16-5-11-22(12-6-16)32-18(3)26(31)28-14-20-7-9-21(10-8-20)25-23(15-27-19(4)29-25)24-13-17(2)30-33-24/h5-6,11-13,15,18,20-21H,7-10,14H2,1-4H3,(H,28,31).
What are the key properties of N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide?
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 448.57 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 110238885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).