(1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol

C17H25N5O3 — CID 75529393

IUPAC(1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol
SMILESCc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H25N5O3/c1-9-13(10(2)25-20-9)6-18-14-5-12(16(23)17(14)24)7-22-8-15(19-21-22)11-3-4-11/h8,11-12,14,16-18,23-24H,3-7H2,1-2H3/t12-,14-,16-,17+/m1/s1
InChIKeyXYAKCJPFAXEUJZ-WNOSKKOXSA-N
MW347.42 g/mol
LogP0.66
Rot. Bonds6

About (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol

(1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol (PubChem CID 75529393) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol
PubChem CID75529393
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol
SMILESCc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H25N5O3/c1-9-13(10(2)25-20-9)6-18-14-5-12(16(23)17(14)24)7-22-8-15(19-21-22)11-3-4-11/h8,11-12,14,16-18,23-24H,3-7H2,1-2H3/t12-,14-,16-,17+/m1/s1
InChIKeyXYAKCJPFAXEUJZ-WNOSKKOXSA-N
XLogP0.66
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol (CID 75529393) is (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol is Cc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol?
The InChIKey is XYAKCJPFAXEUJZ-WNOSKKOXSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-9-13(10(2)25-20-9)6-18-14-5-12(16(23)17(14)24)7-22-8-15(19-21-22)11-3-4-11/h8,11-12,14,16-18,23-24H,3-7H2,1-2H3/t12-,14-,16-,17+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol has a molecular weight of 347.42 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]cyclopentane-1,2-diol is sourced from PubChem (CID 75529393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).