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

C19H27N3O4 — CID 75367905

IUPACcis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
SMILESCc1cccc(OCC2(CNCc3c(C)noc3C)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C19H27N3O4/c1-12-5-4-6-18(21-12)25-11-19(7-16(23)17(24)8-19)10-20-9-15-13(2)22-26-14(15)3/h4-6,16-17,20,23-24H,7-11H2,1-3H3/t16-,17+,19?
InChIKeyJHDDRIIGZMYAIV-JJTKIYQPSA-N
MW361.44 g/mol
LogP1.67
Rot. Bonds7

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

cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol (PubChem CID 75367905) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
PubChem CID75367905
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namecis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
SMILESCc1cccc(OCC2(CNCc3c(C)noc3C)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C19H27N3O4/c1-12-5-4-6-18(21-12)25-11-19(7-16(23)17(24)8-19)10-20-9-15-13(2)22-26-14(15)3/h4-6,16-17,20,23-24H,7-11H2,1-3H3/t16-,17+,19?
InChIKeyJHDDRIIGZMYAIV-JJTKIYQPSA-N
XLogP1.67
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The IUPAC name of cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol (CID 75367905) is cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol is Cc1cccc(OCC2(CNCc3c(C)noc3C)C[C@@H](O)[C@@H](O)C2)n1.
What is the InChIKey of cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The InChIKey is JHDDRIIGZMYAIV-JJTKIYQPSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12-5-4-6-18(21-12)25-11-19(7-16(23)17(24)8-19)10-20-9-15-13(2)22-26-14(15)3/h4-6,16-17,20,23-24H,7-11H2,1-3H3/t16-,17+,19?.
What are the key properties of cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol has a molecular weight of 361.44 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75367905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).