N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide

C21H27N3O4 — CID 57396561

IUPACN-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCC2CCC(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C21H27N3O4/c1-24(2)21(26)16-6-4-14(5-7-16)12-22-20(25)18-19(28-13-23-18)15-8-10-17(27-3)11-9-15/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,22,25)
InChIKeyTZAUPBRGIYRMHZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.97
Rot. Bonds6

About N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide

N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 57396561) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID57396561
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)NCC2CCC(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C21H27N3O4/c1-24(2)21(26)16-6-4-14(5-7-16)12-22-20(25)18-19(28-13-23-18)15-8-10-17(27-3)11-9-15/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,22,25)
InChIKeyTZAUPBRGIYRMHZ-UHFFFAOYSA-N
XLogP2.97
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 57396561) is N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)NCC2CCC(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is TZAUPBRGIYRMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-24(2)21(26)16-6-4-14(5-7-16)12-22-20(25)18-19(28-13-23-18)15-8-10-17(27-3)11-9-15/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide?
N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 57396561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).