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

C21H25N5O3 — CID 98134449

IUPAC3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)on1
InChIInChI=1S/C21H25N5O3/c1-12-8-18(28-25-12)17-11-22-14(3)24-20(17)16-6-4-15(5-7-16)10-23-21(27)19-9-13(2)26-29-19/h8-9,11,15-16H,4-7,10H2,1-3H3,(H,23,27)
InChIKeyBXHLUVAAUMRRHE-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.75
Rot. Bonds5

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

3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 98134449) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID98134449
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)on1
InChIInChI=1S/C21H25N5O3/c1-12-8-18(28-25-12)17-11-22-14(3)24-20(17)16-6-4-15(5-7-16)10-23-21(27)19-9-13(2)26-29-19/h8-9,11,15-16H,4-7,10H2,1-3H3,(H,23,27)
InChIKeyBXHLUVAAUMRRHE-UHFFFAOYSA-N
XLogP3.75
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 98134479
2-cyclohexyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 98134399
5-methoxy-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]thiophene-2-carboxamide
CID 98134493
5,6-dimethyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 98134459
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
CID 110238871
2-(1,1-dioxothiolan-3-yl)-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 110238876
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide
CID 110238885
5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 98134577
N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide
CID 98134624
trans-(1S,2S)-2-methyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 98134572
N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 110238892
2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 110238906

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide (CID 98134449) is 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)on1.
What is the InChIKey of 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BXHLUVAAUMRRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-12-8-18(28-25-12)17-11-22-14(3)24-20(17)16-6-4-15(5-7-16)10-23-21(27)19-9-13(2)26-29-19/h8-9,11,15-16H,4-7,10H2,1-3H3,(H,23,27).
What are the key properties of 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 98134449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).