N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide

C26H27N5O2 — CID 92560772

IUPACN-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3cc(C)no3)cc2)c1
InChIInChI=1S/C26H27N5O2/c1-17-6-5-7-20(12-17)14-24(32)27-15-19-8-10-21(11-9-19)25-22(23-13-18(2)30-33-23)16-28-26(29-25)31(3)4/h5-13,16H,14-15H2,1-4H3,(H,27,32)
InChIKeyQXMHCHGFBJCLHP-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.34
Rot. Bonds7

About N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide

N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 92560772) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID92560772
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3cc(C)no3)cc2)c1
InChIInChI=1S/C26H27N5O2/c1-17-6-5-7-20(12-17)14-24(32)27-15-19-8-10-21(11-9-19)25-22(23-13-18(2)30-33-23)16-28-26(29-25)31(3)4/h5-13,16H,14-15H2,1-4H3,(H,27,32)
InChIKeyQXMHCHGFBJCLHP-UHFFFAOYSA-N
XLogP4.34
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 121137861
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
N-[[4-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
CID 92597109
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]-2-(3-methylphenyl)acetamide
CID 98133635
5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 92589079
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263317
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 46092588
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]propanamide
CID 46461382
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 16867314
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide (CID 92560772) is N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3cc(C)no3)cc2)c1.
What is the InChIKey of N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is QXMHCHGFBJCLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17-6-5-7-20(12-17)14-24(32)27-15-19-8-10-21(11-9-19)25-22(23-13-18(2)30-33-23)16-28-26(29-25)31(3)4/h5-13,16H,14-15H2,1-4H3,(H,27,32).
What are the key properties of N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide?
N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 441.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]phenyl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 92560772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).