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

C18H16N2O3 — CID 3686577

IUPACN-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccccc3)no2)c1
InChIInChI=1S/C18H16N2O3/c1-22-15-9-5-8-14(10-15)17-11-16(20-23-17)18(21)19-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21)
InChIKeyBRNHFHYWCLGUSD-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.28
Rot. Bonds5

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

N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3686577) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3686577
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccccc3)no2)c1
InChIInChI=1S/C18H16N2O3/c1-22-15-9-5-8-14(10-15)17-11-16(20-23-17)18(21)19-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21)
InChIKeyBRNHFHYWCLGUSD-UHFFFAOYSA-N
XLogP3.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3686577) is N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ccccc3)no2)c1.
What is the InChIKey of N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BRNHFHYWCLGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-15-9-5-8-14(10-15)17-11-16(20-23-17)18(21)19-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3686577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).