N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C17H21N3O5 — CID 75368040

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)no1
InChIInChI=1S/C17H21N3O5/c1-11-5-13(20-25-11)16(23)19-9-17(6-14(21)15(22)7-17)10-24-12-3-2-4-18-8-12/h2-5,8,14-15,21-22H,6-7,9-10H2,1H3,(H,19,23)/t14-,15+,17?
InChIKeyIREUSDBGFFYPTL-FKEKPDDDSA-N
MW347.37 g/mol
LogP0.69
Rot. Bonds6

About N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 75368040) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID75368040
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)no1
InChIInChI=1S/C17H21N3O5/c1-11-5-13(20-25-11)16(23)19-9-17(6-14(21)15(22)7-17)10-24-12-3-2-4-18-8-12/h2-5,8,14-15,21-22H,6-7,9-10H2,1H3,(H,19,23)/t14-,15+,17?
InChIKeyIREUSDBGFFYPTL-FKEKPDDDSA-N
XLogP0.69
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 75368040) is N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)no1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is IREUSDBGFFYPTL-FKEKPDDDSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11-5-13(20-25-11)16(23)19-9-17(6-14(21)15(22)7-17)10-24-12-3-2-4-18-8-12/h2-5,8,14-15,21-22H,6-7,9-10H2,1H3,(H,19,23)/t14-,15+,17?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75368040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).