N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C16H16N4O2 — CID 72861448

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C16H16N4O2/c1-11-14(15(20-22-11)12-5-3-2-4-6-12)16(21)18-8-7-13-9-17-10-19-13/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,21)
InChIKeyQKTLNBIJGOVPBC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 72861448) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID72861448
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C16H16N4O2/c1-11-14(15(20-22-11)12-5-3-2-4-6-12)16(21)18-8-7-13-9-17-10-19-13/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,21)
InChIKeyQKTLNBIJGOVPBC-UHFFFAOYSA-N
XLogP2.35
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 72861448) is N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is QKTLNBIJGOVPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-14(15(20-22-11)12-5-3-2-4-6-12)16(21)18-8-7-13-9-17-10-19-13/h2-6,9-10H,7-8H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 72861448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).