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

C25H30N4O2 — CID 110238871

IUPACN-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
SMILESCc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)C(C)c3ccccc3)CC2)on1
InChIInChI=1S/C25H30N4O2/c1-16-13-23(31-29-16)22-15-26-18(3)28-24(22)21-11-9-19(10-12-21)14-27-25(30)17(2)20-7-5-4-6-8-20/h4-8,13,15,17,19,21H,9-12,14H2,1-3H3,(H,27,30)
InChIKeyYYUAPBLPRRPGSO-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.94
Rot. Bonds6

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

N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide (PubChem CID 110238871) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
PubChem CID110238871
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
SMILESCc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)C(C)c3ccccc3)CC2)on1
InChIInChI=1S/C25H30N4O2/c1-16-13-23(31-29-16)22-15-26-18(3)28-24(22)21-11-9-19(10-12-21)14-27-25(30)17(2)20-7-5-4-6-8-20/h4-8,13,15,17,19,21H,9-12,14H2,1-3H3,(H,27,30)
InChIKeyYYUAPBLPRRPGSO-UHFFFAOYSA-N
XLogP4.94
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-phenylpropanamide?
The IUPAC name of N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide (CID 110238871) is N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide.
What is the SMILES notation for N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide?
The canonical SMILES for N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide is Cc1cc(-c2cnc(C)nc2C2CCC(CNC(=O)C(C)c3ccccc3)CC2)on1.
What is the InChIKey of N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide?
The InChIKey is YYUAPBLPRRPGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-16-13-23(31-29-16)22-15-26-18(3)28-24(22)21-11-9-19(10-12-21)14-27-25(30)17(2)20-7-5-4-6-8-20/h4-8,13,15,17,19,21H,9-12,14H2,1-3H3,(H,27,30).
What are the key properties of N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide?
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide has a molecular weight of 418.54 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-phenylpropanamide is sourced from PubChem (CID 110238871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).