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

C17H20N2O5 — CID 75368018

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1(COc2ccccc2)C[C@@H](O)[C@@H](O)C1)c1ccno1
InChIInChI=1S/C17H20N2O5/c20-13-8-17(9-14(13)21,11-23-12-4-2-1-3-5-12)10-18-16(22)15-6-7-19-24-15/h1-7,13-14,20-21H,8-11H2,(H,18,22)/t13-,14+,17?
InChIKeyKQEBZNRCHZLQNT-VMZNBEPHSA-N
MW332.36 g/mol
LogP0.99
Rot. Bonds6

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

N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 75368018) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID75368018
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1(COc2ccccc2)C[C@@H](O)[C@@H](O)C1)c1ccno1
InChIInChI=1S/C17H20N2O5/c20-13-8-17(9-14(13)21,11-23-12-4-2-1-3-5-12)10-18-16(22)15-6-7-19-24-15/h1-7,13-14,20-21H,8-11H2,(H,18,22)/t13-,14+,17?
InChIKeyKQEBZNRCHZLQNT-VMZNBEPHSA-N
XLogP0.99
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368049
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368084
N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 162796893
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 163045429
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide
CID 75367952
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide
CID 118782174
N-[[(3R,4S)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-3-methoxybenzamide
CID 75367949
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 146119556
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
CID 75367843

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide (CID 75368018) is N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1(COc2ccccc2)C[C@@H](O)[C@@H](O)C1)c1ccno1.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KQEBZNRCHZLQNT-VMZNBEPHSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-13-8-17(9-14(13)21,11-23-12-4-2-1-3-5-12)10-18-16(22)15-6-7-19-24-15/h1-7,13-14,20-21H,8-11H2,(H,18,22)/t13-,14+,17?.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide?
N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75368018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).