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

C19H24N6O3 — CID 75529400

IUPAC(1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESCc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H24N6O3/c1-11-15(12(2)28-23-11)8-21-16-6-14(18(26)19(16)27)9-25-10-17(22-24-25)13-4-3-5-20-7-13/h3-5,7,10,14,16,18-19,21,26-27H,6,8-9H2,1-2H3/t14-,16-,18-,19+/m1/s1
InChIKeyHKWIGMSQFLRXIY-OPNNQBFTSA-N
MW384.44 g/mol
LogP0.85
Rot. Bonds6

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

(1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (PubChem CID 75529400) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
PubChem CID75529400
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name(1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol
SMILESCc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H24N6O3/c1-11-15(12(2)28-23-11)8-21-16-6-14(18(26)19(16)27)9-25-10-17(22-24-25)13-4-3-5-20-7-13/h3-5,7,10,14,16,18-19,21,26-27H,6,8-9H2,1-2H3/t14-,16-,18-,19+/m1/s1
InChIKeyHKWIGMSQFLRXIY-OPNNQBFTSA-N
XLogP0.85
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol (CID 75529400) is (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is Cc1noc(C)c1CN[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
The InChIKey is HKWIGMSQFLRXIY-OPNNQBFTSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-11-15(12(2)28-23-11)8-21-16-6-14(18(26)19(16)27)9-25-10-17(22-24-25)13-4-3-5-20-7-13/h3-5,7,10,14,16,18-19,21,26-27H,6,8-9H2,1-2H3/t14-,16-,18-,19+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol has a molecular weight of 384.44 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75529400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).