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

C18H25N3O4 — CID 75367885

IUPACcis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESCc1noc(C)c1CNCC1(COc2cccnc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C18H25N3O4/c1-12-15(13(2)25-21-12)9-20-10-18(6-16(22)17(23)7-18)11-24-14-4-3-5-19-8-14/h3-5,8,16-17,20,22-23H,6-7,9-11H2,1-2H3/t16-,17+,18?
InChIKeyZLSARXCSQJEQIA-JWTNVVGKSA-N
MW347.42 g/mol
LogP1.36
Rot. Bonds7

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

cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (PubChem CID 75367885) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
PubChem CID75367885
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Namecis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESCc1noc(C)c1CNCC1(COc2cccnc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C18H25N3O4/c1-12-15(13(2)25-21-12)9-20-10-18(6-16(22)17(23)7-18)11-24-14-4-3-5-19-8-14/h3-5,8,16-17,20,22-23H,6-7,9-11H2,1-2H3/t16-,17+,18?
InChIKeyZLSARXCSQJEQIA-JWTNVVGKSA-N
XLogP1.36
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(s)-2-(5-(5-(Azetidin-2-ylmethoxy)pyridin-3-yl)isoxazol-3-yl)ethan-1-ol
CID 46191426
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride
CID 56595564
2-[5-[5-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
CID 71453718
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(2-methoxyethyl)-1,2-oxazole
CID 71455409
3-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol
CID 71457185
2-[5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
CID 71460847
2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
CID 71460848
N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 75367851
N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75367860
N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 75367862
3,5-Dimethyl-4-[(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methyl]-1,2-oxazole
CID 97451290
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]propanamide
CID 110125342

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (CID 75367885) is cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is Cc1noc(C)c1CNCC1(COc2cccnc2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The InChIKey is ZLSARXCSQJEQIA-JWTNVVGKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-15(13(2)25-21-12)9-20-10-18(6-16(22)17(23)7-18)11-24-14-4-3-5-19-8-14/h3-5,8,16-17,20,22-23H,6-7,9-11H2,1-2H3/t16-,17+,18?.
What are the key properties of cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol has a molecular weight of 347.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 75367885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).