3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine

C20H33N3O2 — CID 128965578

IUPAC3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC(C)c1noc(C(NC2CCCC(C3CC3)C2)C2CCOCC2)n1
InChIInChI=1S/C20H33N3O2/c1-13(2)19-22-20(25-23-19)18(15-8-10-24-11-9-15)21-17-5-3-4-16(12-17)14-6-7-14/h13-18,21H,3-12H2,1-2H3
InChIKeyUXQZEDMNBRUBNE-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.22
Rot. Bonds6

About 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine

3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 128965578) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID128965578
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC(C)c1noc(C(NC2CCCC(C3CC3)C2)C2CCOCC2)n1
InChIInChI=1S/C20H33N3O2/c1-13(2)19-22-20(25-23-19)18(15-8-10-24-11-9-15)21-17-5-3-4-16(12-17)14-6-7-14/h13-18,21H,3-12H2,1-2H3
InChIKeyUXQZEDMNBRUBNE-UHFFFAOYSA-N
XLogP4.22
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 129338337
N-ethyl-4-[[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxamide
CID 129340387
1-[(1S)-cyclohex-2-en-1-yl]-3-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129341980
1-cyclohex-2-en-1-yl-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 128992411
2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129473602
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
1-hydroxy-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 129326237
2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 128965636
4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 129472303
5-bromo-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129472627
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 129471841

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (CID 128965578) is 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is CC(C)c1noc(C(NC2CCCC(C3CC3)C2)C2CCOCC2)n1.
What is the InChIKey of 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is UXQZEDMNBRUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)19-22-20(25-23-19)18(15-8-10-24-11-9-15)21-17-5-3-4-16(12-17)14-6-7-14/h13-18,21H,3-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 347.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 128965578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).