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

C16H21ClN4O5 — CID 146119556

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)no1.Cl
InChIInChI=1S/C16H20N4O5.ClH/c1-10-4-11(20-25-10)15(23)19-8-16(5-12(21)13(22)6-16)9-24-14-7-17-2-3-18-14;/h2-4,7,12-13,21-22H,5-6,8-9H2,1H3,(H,19,23);1H/t12-,13+,16?;
InChIKeySERDWLFSGLTYMT-VDZMBQAVSA-N
MW384.82 g/mol
LogP0.51
Rot. Bonds6

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

N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 146119556) has the molecular formula C16H21ClN4O5 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID146119556
Molecular FormulaC16H21ClN4O5
Molecular Weight384.82 g/mol
Exact Mass384.12
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)no1.Cl
InChIInChI=1S/C16H20N4O5.ClH/c1-10-4-11(20-25-10)15(23)19-8-16(5-12(21)13(22)6-16)9-24-14-7-17-2-3-18-14;/h2-4,7,12-13,21-22H,5-6,8-9H2,1H3,(H,19,23);1H/t12-,13+,16?;
InChIKeySERDWLFSGLTYMT-VDZMBQAVSA-N
XLogP0.51
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 146119556) is N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCC2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)no1.Cl.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is SERDWLFSGLTYMT-VDZMBQAVSA-N. The full InChI is InChI=1S/C16H20N4O5.ClH/c1-10-4-11(20-25-10)15(23)19-8-16(5-12(21)13(22)6-16)9-24-14-7-17-2-3-18-14;/h2-4,7,12-13,21-22H,5-6,8-9H2,1H3,(H,19,23);1H/t12-,13+,16?;.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 384.82 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 146119556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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