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

C24H31N5O3 — CID 98134577

IUPAC5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC2CCC(c3nc(C(C)C)ncc3-c3cc(C)no3)CC2)no1
InChIInChI=1S/C24H31N5O3/c1-5-18-11-20(29-31-18)24(30)26-12-16-6-8-17(9-7-16)22-19(21-10-15(4)28-32-21)13-25-23(27-22)14(2)3/h10-11,13-14,16-17H,5-9,12H2,1-4H3,(H,26,30)
InChIKeyMQPUHGUJYOOXEP-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.82
Rot. Bonds7

About 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

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 (PubChem CID 98134577) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID98134577
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC2CCC(c3nc(C(C)C)ncc3-c3cc(C)no3)CC2)no1
InChIInChI=1S/C24H31N5O3/c1-5-18-11-20(29-31-18)24(30)26-12-16-6-8-17(9-7-16)22-19(21-10-15(4)28-32-21)13-25-23(27-22)14(2)3/h10-11,13-14,16-17H,5-9,12H2,1-4H3,(H,26,30)
InChIKeyMQPUHGUJYOOXEP-UHFFFAOYSA-N
XLogP4.82
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(C(=O)NCC2CCC(c3nc(C(C)C)ncc3-c3cc(C)no3)CC2)no1.
What is the InChIKey of 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?
The InChIKey is MQPUHGUJYOOXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-5-18-11-20(29-31-18)24(30)26-12-16-6-8-17(9-7-16)22-19(21-10-15(4)28-32-21)13-25-23(27-22)14(2)3/h10-11,13-14,16-17H,5-9,12H2,1-4H3,(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 437.54 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 98134577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).