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

C12H18N2O5 — CID 75368084

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCOCC1(CNC(=O)c2ccno2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H18N2O5/c1-18-7-12(4-8(15)9(16)5-12)6-13-11(17)10-2-3-14-19-10/h2-3,8-9,15-16H,4-7H2,1H3,(H,13,17)/t8-,9+,12?
InChIKeyJZRZWDSKBYQXBO-USUYBEQLSA-N
MW270.28 g/mol
LogP-0.45
Rot. Bonds5

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

N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 75368084) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID75368084
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCOCC1(CNC(=O)c2ccno2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H18N2O5/c1-18-7-12(4-8(15)9(16)5-12)6-13-11(17)10-2-3-14-19-10/h2-3,8-9,15-16H,4-7H2,1H3,(H,13,17)/t8-,9+,12?
InChIKeyJZRZWDSKBYQXBO-USUYBEQLSA-N
XLogP-0.45
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368018
N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368049
N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162921091
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 163004834
cis-(1S,2R)-4-[[(4-fluorophenyl)methylamino]methyl]-4-(methoxymethyl)cyclopentane-1,2-diol;hydrochloride
CID 146119607
5-ethoxy-N-[[1-(methoxymethyl)cyclopropyl]methyl]furan-2-carboxamide
CID 122558865
N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 121172381
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide (CID 75368084) is N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide is COCC1(CNC(=O)c2ccno2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is JZRZWDSKBYQXBO-USUYBEQLSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-18-7-12(4-8(15)9(16)5-12)6-13-11(17)10-2-3-14-19-10/h2-3,8-9,15-16H,4-7H2,1H3,(H,13,17)/t8-,9+,12?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 270.28 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75368084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).