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

C14H15N5O2 — CID 135800119

IUPACN-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccc[nH]2)on1
InChIInChI=1S/C14H15N5O2/c20-14(17-5-2-7-19-8-6-15-10-19)12-9-13(21-18-12)11-3-1-4-16-11/h1,3-4,6,8-10,16H,2,5,7H2,(H,17,20)
InChIKeyJPHGLCSEFJNQIC-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.69
Rot. Bonds6

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

N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 135800119) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID135800119
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(-c2ccc[nH]2)on1
InChIInChI=1S/C14H15N5O2/c20-14(17-5-2-7-19-8-6-15-10-19)12-9-13(21-18-12)11-3-1-4-16-11/h1,3-4,6,8-10,16H,2,5,7H2,(H,17,20)
InChIKeyJPHGLCSEFJNQIC-UHFFFAOYSA-N
XLogP1.69
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(1H-imidazol-1-yl)propyl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3235911
Wnt/beta-catenin agonist 4
CID 16003392
N-(2-(4-(furan-2-yl)-1H-imidazol-2-yl)ethyl)-5-methylisoxazole-3-carboxamide
CID 71797238
5-phenyl-N-(2-(2-(pyridin-2-yl)-1H-imidazol-1-yl)ethyl)isoxazole-3-carboxamide
CID 86266140
5-methyl-N-((3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl)methyl)isoxazole-3-carboxamide
CID 91632238
N-{[3-(3-fluorophenyl)isoxazol-5-yl]methyl}-1H-imidazole-5-carboxamide
CID 91837908
2-(3-pyridin-2-ylisoxazol-5-yl)-5,6,7,8-tetrahydroimidazo[4,5-c]azepin-4(1H)-one
CID 136262773
5-[5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]-N-(3-imidazol-1-ylpropyl)-1H-imidazole-2-carboxamide
CID 11463664
4-[5-(2,3-difluorophenyl)-1,2-oxazol-4-yl]-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 11646939
4-[3-(2,3-difluorophenyl)-1,2-oxazol-4-yl]-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 11646940
5-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 24738314

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide (CID 135800119) is N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1)c1cc(-c2ccc[nH]2)on1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is JPHGLCSEFJNQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-14(17-5-2-7-19-8-6-15-10-19)12-9-13(21-18-12)11-3-1-4-16-11/h1,3-4,6,8-10,16H,2,5,7H2,(H,17,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-(1H-pyrrol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135800119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).