trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol

C15H21N3O2 — CID 176752749

IUPACtrans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol
SMILESCC(C)c1nc2nc(CN[C@H]3CCC[C@@H]3O)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-9(2)15-18-14-13(20-15)7-6-10(17-14)8-16-11-4-3-5-12(11)19/h6-7,9,11-12,16,19H,3-5,8H2,1-2H3/t11-,12-/m0/s1
InChIKeyYZNHVADXZWPYLD-RYUDHWBXSA-N
MW275.35 g/mol
LogP2.35
Rot. Bonds4

About trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol (PubChem CID 176752749) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol
PubChem CID176752749
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametrans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol
SMILESCC(C)c1nc2nc(CN[C@H]3CCC[C@@H]3O)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-9(2)15-18-14-13(20-15)7-6-10(17-14)8-16-11-4-3-5-12(11)19/h6-7,9,11-12,16,19H,3-5,8H2,1-2H3/t11-,12-/m0/s1
InChIKeyYZNHVADXZWPYLD-RYUDHWBXSA-N
XLogP2.35
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol with MolForge

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Related Compounds

cis-(1S,2R)-2-[(7-fluoro-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166557590
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
cis-(1R,2S)-2-[(7-fluoro-4-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167274613
cis-(1R,2S)-2-[(7-methoxy-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 167273871
2-[(6-fluoro-7-methyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methylamino]cyclopentan-1-ol
CID 166556863
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclopentan-1-ol
CID 166557585
2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166557173
trans-(1S,2S)-2-[[2-propan-2-yl-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methylamino]cyclohexan-1-ol
CID 166556290
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
trans-(1R,2R)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentan-1-ol
CID 94879143
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol (CID 176752749) is trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol is CC(C)c1nc2nc(CN[C@H]3CCC[C@@H]3O)ccc2o1.
What is the InChIKey of trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol?
The InChIKey is YZNHVADXZWPYLD-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)15-18-14-13(20-15)7-6-10(17-14)8-16-11-4-3-5-12(11)19/h6-7,9,11-12,16,19H,3-5,8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 176752749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).