N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide

C10H12N4O2S — CID 77098246

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide
SMILESCn1ccnc1SCCNC(=O)c1ccno1
InChIInChI=1S/C10H12N4O2S/c1-14-6-4-12-10(14)17-7-5-11-9(15)8-2-3-13-16-8/h2-4,6H,5,7H2,1H3,(H,11,15)
InChIKeyQVYXMCPKHMZSNQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.93
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide (PubChem CID 77098246) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide
PubChem CID77098246
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide
SMILESCn1ccnc1SCCNC(=O)c1ccno1
InChIInChI=1S/C10H12N4O2S/c1-14-6-4-12-10(14)17-7-5-11-9(15)8-2-3-13-16-8/h2-4,6H,5,7H2,1H3,(H,11,15)
InChIKeyQVYXMCPKHMZSNQ-UHFFFAOYSA-N
XLogP0.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39969915
3-acetamido-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide
CID 39969916
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 77087722
5-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-5-oxopentanoic acid
CID 123173965
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131949734
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
(2S)-1-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]azepane-2-carboxamide
CID 97138987
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
CID 86262337
N-(3-aminopropyl)-1,2-oxazole-5-carboxamide
CID 62268259
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176503947

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide (CID 77098246) is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide is Cn1ccnc1SCCNC(=O)c1ccno1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QVYXMCPKHMZSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-14-6-4-12-10(14)17-7-5-11-9(15)8-2-3-13-16-8/h2-4,6H,5,7H2,1H3,(H,11,15).
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide?
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 77098246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).