N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide

C22H35N3O3 — CID 42766359

IUPACN-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)C(=O)N(Cc1nc(C(=O)NC2CCCCC2)co1)C1CCCCC1
InChIInChI=1S/C22H35N3O3/c1-22(2,3)21(27)25(17-12-8-5-9-13-17)14-19-24-18(15-28-19)20(26)23-16-10-6-4-7-11-16/h15-17H,4-14H2,1-3H3,(H,23,26)
InChIKeyFFYHIYVLOHMGAT-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.44
Rot. Bonds5

About N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide

N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42766359) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42766359
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)C(=O)N(Cc1nc(C(=O)NC2CCCCC2)co1)C1CCCCC1
InChIInChI=1S/C22H35N3O3/c1-22(2,3)21(27)25(17-12-8-5-9-13-17)14-19-24-18(15-28-19)20(26)23-16-10-6-4-7-11-16/h15-17H,4-14H2,1-3H3,(H,23,26)
InChIKeyFFYHIYVLOHMGAT-UHFFFAOYSA-N
XLogP4.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 810603
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2-(2-aminoethyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3254419
N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7415529
2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 7225997
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
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CID 92986253
2-[[(3-chlorobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 1195797
2-[[cyclohexylcarbamoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 1195816
N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986264
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4281802

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 42766359) is N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide is CC(C)(C)C(=O)N(Cc1nc(C(=O)NC2CCCCC2)co1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FFYHIYVLOHMGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-22(2,3)21(27)25(17-12-8-5-9-13-17)14-19-24-18(15-28-19)20(26)23-16-10-6-4-7-11-16/h15-17H,4-14H2,1-3H3,(H,23,26).
What are the key properties of N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42766359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).