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

C24H28FN5O2 — CID 98134624

IUPACN-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide
SMILESCc1cc(-c2cnc(N(C)C)nc2C2CCC(CNC(=O)c3ccccc3F)CC2)on1
InChIInChI=1S/C24H28FN5O2/c1-15-12-21(32-29-15)19-14-27-24(30(2)3)28-22(19)17-10-8-16(9-11-17)13-26-23(31)18-6-4-5-7-20(18)25/h4-7,12,14,16-17H,8-11,13H2,1-3H3,(H,26,31)
InChIKeyGGLDKCSUEGVDFR-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.35
Rot. Bonds6

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

N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide (PubChem CID 98134624) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide
PubChem CID98134624
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC NameN-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide
SMILESCc1cc(-c2cnc(N(C)C)nc2C2CCC(CNC(=O)c3ccccc3F)CC2)on1
InChIInChI=1S/C24H28FN5O2/c1-15-12-21(32-29-15)19-14-27-24(30(2)3)28-22(19)17-10-8-16(9-11-17)13-26-23(31)18-6-4-5-7-20(18)25/h4-7,12,14,16-17H,8-11,13H2,1-3H3,(H,26,31)
InChIKeyGGLDKCSUEGVDFR-UHFFFAOYSA-N
XLogP4.35
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110218538
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]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 98134479
N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-phenylpropanamide
CID 110238871
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-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
2-cyclohexyl-N-[[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
CID 98134399
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-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-(4-methylphenoxy)propanamide
CID 110238885
[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 92587558

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide (CID 98134624) is N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide is Cc1cc(-c2cnc(N(C)C)nc2C2CCC(CNC(=O)c3ccccc3F)CC2)on1.
What is the InChIKey of N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide?
The InChIKey is GGLDKCSUEGVDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-15-12-21(32-29-15)19-14-27-24(30(2)3)28-22(19)17-10-8-16(9-11-17)13-26-23(31)18-6-4-5-7-20(18)25/h4-7,12,14,16-17H,8-11,13H2,1-3H3,(H,26,31).
What are the key properties of N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide?
N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]-2-fluorobenzamide has a molecular weight of 437.52 g/mol, XLogP of 4.35, 6 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]cyclohexyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 98134624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).