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

C17H18N4O3 — CID 3245017

IUPACN-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCn2ccnc2)no1
InChIInChI=1S/C17H18N4O3/c1-23-15-6-3-2-5-13(15)16-11-14(20-24-16)17(22)19-7-4-9-21-10-8-18-12-21/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,19,22)
InChIKeySHUYDHHMCYTRJX-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.37
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3245017) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3245017
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCn2ccnc2)no1
InChIInChI=1S/C17H18N4O3/c1-23-15-6-3-2-5-13(15)16-11-14(20-24-16)17(22)19-7-4-9-21-10-8-18-12-21/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,19,22)
InChIKeySHUYDHHMCYTRJX-UHFFFAOYSA-N
XLogP2.37
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3245017) is N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)NCCCn2ccnc2)no1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SHUYDHHMCYTRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-23-15-6-3-2-5-13(15)16-11-14(20-24-16)17(22)19-7-4-9-21-10-8-18-12-21/h2-3,5-6,8,10-12H,4,7,9H2,1H3,(H,19,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.37, 7 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-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3245017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).