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

C18H22N4O3 — CID 128993450

IUPACN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCC(C)c1noc(C(Nc2nc3ccccc3o2)C2CCOCC2)n1
InChIInChI=1S/C18H22N4O3/c1-11(2)16-21-17(25-22-16)15(12-7-9-23-10-8-12)20-18-19-13-5-3-4-6-14(13)24-18/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyKSUONLIXHLVQOH-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.91
Rot. Bonds5

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

N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 128993450) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
PubChem CID128993450
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCC(C)c1noc(C(Nc2nc3ccccc3o2)C2CCOCC2)n1
InChIInChI=1S/C18H22N4O3/c1-11(2)16-21-17(25-22-16)15(12-7-9-23-10-8-12)20-18-19-13-5-3-4-6-14(13)24-18/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyKSUONLIXHLVQOH-UHFFFAOYSA-N
XLogP3.91
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 129471942
2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129473602
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine
CID 128992692
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide
CID 129472264
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 129331035
2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 128965636
5-bromo-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129472627
1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 128966955
(2S)-1-(2-methoxyphenyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129341816
6,7-difluoro-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 129327295
6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 129327296

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine (CID 128993450) is N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine is CC(C)c1noc(C(Nc2nc3ccccc3o2)C2CCOCC2)n1.
What is the InChIKey of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is KSUONLIXHLVQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(2)16-21-17(25-22-16)15(12-7-9-23-10-8-12)20-18-19-13-5-3-4-6-14(13)24-18/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 342.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 128993450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).