N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C14H14N4O2S — CID 3235911

IUPACN-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H14N4O2S/c19-14(16-4-2-6-18-7-5-15-10-18)11-9-12(20-17-11)13-3-1-8-21-13/h1,3,5,7-10H,2,4,6H2,(H,16,19)
InChIKeyLRGVDHZAEYAHLG-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.42
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3235911) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3235911
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H14N4O2S/c19-14(16-4-2-6-18-7-5-15-10-18)11-9-12(20-17-11)13-3-1-8-21-13/h1,3,5,7-10H,2,4,6H2,(H,16,19)
InChIKeyLRGVDHZAEYAHLG-UHFFFAOYSA-N
XLogP2.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.42
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-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
N-pyridin-3-yl-5-thien-2-ylisoxazole-3-carboxamide
CID 3243923
N-[4-[(6-aminopyrazine-2-carbonyl)amino]butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122190971
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
CID 10365602
N-[3-(1-imidazolyl)propyl][5-(2-thienyl)-3-isoxazolyl]acetamide
CID 16879463
N,N-Diethyl-3-[3-({4-[5-(thiophen-2-YL)-1,2-oxazole-3-carbonyl]piperazin-1-YL}methyl)-1,2,4-oxadiazol-5-YL]propanamide
CID 45106654
2-(pyrimidin-2-ylthio)-N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)acetamide
CID 45497806
N-(6-(pyrrolidin-1-yl)pyrimidin-4-yl)-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 71794953
5-methyl-N-(2-(4-(thiophen-2-yl)-1H-imidazol-2-yl)ethyl)isoxazole-3-carboxamide
CID 71797159
5-cyclopropyl-N-(2-(1-methyl-4-(thiophen-2-yl)-1H-imidazol-2-yl)ethyl)isoxazole-3-carboxamide
CID 71797222
N-(2-(6-oxo-3-(1H-1,2,4-triazol-1-yl)pyridazin-1(6H)-yl)ethyl)-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 71805266
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 71805376

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3235911) is N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LRGVDHZAEYAHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-14(16-4-2-6-18-7-5-15-10-18)11-9-12(20-17-11)13-3-1-8-21-13/h1,3,5,7-10H,2,4,6H2,(H,16,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3235911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).