N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide

C14H23N3O2 — CID 130188039

IUPACN-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide
SMILESCCCCc1cc(C(=O)NC2CCC(N)CC2)no1
InChIInChI=1S/C14H23N3O2/c1-2-3-4-12-9-13(17-19-12)14(18)16-11-7-5-10(15)6-8-11/h9-11H,2-8,15H2,1H3,(H,16,18)
InChIKeyYIQJTUNGYIRYBZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.02
Rot. Bonds5

About N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide

N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide (PubChem CID 130188039) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide
PubChem CID130188039
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide
SMILESCCCCc1cc(C(=O)NC2CCC(N)CC2)no1
InChIInChI=1S/C14H23N3O2/c1-2-3-4-12-9-13(17-19-12)14(18)16-11-7-5-10(15)6-8-11/h9-11H,2-8,15H2,1H3,(H,16,18)
InChIKeyYIQJTUNGYIRYBZ-UHFFFAOYSA-N
XLogP2.02
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66155543
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26742965
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 140824507
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 70736281
N-[4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclohexyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 169410906
ethyl 5-tridecyl-1,2-oxazole-3-carboxylate
CID 13169319
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 146109258

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide (CID 130188039) is N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide is CCCCc1cc(C(=O)NC2CCC(N)CC2)no1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide?
The InChIKey is YIQJTUNGYIRYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-4-12-9-13(17-19-12)14(18)16-11-7-5-10(15)6-8-11/h9-11H,2-8,15H2,1H3,(H,16,18).
What are the key properties of N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide?
N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-butyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).