N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C14H23N3O3 — CID 66155543

IUPACN-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCNC1CCC(NC(=O)c2cc(COC)on2)CC1
InChIInChI=1S/C14H23N3O3/c1-3-15-10-4-6-11(7-5-10)16-14(18)13-8-12(9-19-2)20-17-13/h8,10-11,15H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyBSHTZJHHYLEIAC-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.47
Rot. Bonds6

About N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66155543) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66155543
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCNC1CCC(NC(=O)c2cc(COC)on2)CC1
InChIInChI=1S/C14H23N3O3/c1-3-15-10-4-6-11(7-5-10)16-14(18)13-8-12(9-19-2)20-17-13/h8,10-11,15H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyBSHTZJHHYLEIAC-UHFFFAOYSA-N
XLogP1.47
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-(6-oxopiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 66157177
N-cyclopentyloxy-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 83202345
5-(methoxymethyl)-N-[(2S,4S)-2-(2-methylpropyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 97338324
N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide
CID 130188039
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66254719
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-[(2-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156374
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 24817014
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103890936
5-(methoxymethyl)-N-(2-phenoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 75374447
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 140824507
N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157343

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66155543) is N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is CCNC1CCC(NC(=O)c2cc(COC)on2)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BSHTZJHHYLEIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-15-10-4-6-11(7-5-10)16-14(18)13-8-12(9-19-2)20-17-13/h8,10-11,15H,3-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66155543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).