3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol

C18H25N3O4 — CID 163102723

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
SMILESCc1cccc(OCC2CC(NCc3c(C)noc3C)C(O)C2O)n1
InChIInChI=1S/C18H25N3O4/c1-10-5-4-6-16(20-10)24-9-13-7-15(18(23)17(13)22)19-8-14-11(2)21-25-12(14)3/h4-6,13,15,17-19,22-23H,7-9H2,1-3H3
InChIKeyOAKIRGKFCCKGBQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.27
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol (PubChem CID 163102723) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
PubChem CID163102723
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
SMILESCc1cccc(OCC2CC(NCc3c(C)noc3C)C(O)C2O)n1
InChIInChI=1S/C18H25N3O4/c1-10-5-4-6-16(20-10)24-9-13-7-15(18(23)17(13)22)19-8-14-11(2)21-25-12(14)3/h4-6,13,15,17-19,22-23H,7-9H2,1-3H3
InChIKeyOAKIRGKFCCKGBQ-UHFFFAOYSA-N
XLogP1.27
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol (CID 163102723) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol is Cc1cccc(OCC2CC(NCc3c(C)noc3C)C(O)C2O)n1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The InChIKey is OAKIRGKFCCKGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-10-5-4-6-16(20-10)24-9-13-7-15(18(23)17(13)22)19-8-14-11(2)21-25-12(14)3/h4-6,13,15,17-19,22-23H,7-9H2,1-3H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol has a molecular weight of 347.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol is sourced from PubChem (CID 163102723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).