N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide

C16H18N4O3 — CID 50981440

IUPACN-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)c2onc3ccccc23)no1
InChIInChI=1S/C16H18N4O3/c1-3-7-14-17-13(19-22-14)10-20(4-2)16(21)15-11-8-5-6-9-12(11)18-23-15/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyQKTOYGDFPZLQIC-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide

N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide (PubChem CID 50981440) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide
PubChem CID50981440
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)c2onc3ccccc23)no1
InChIInChI=1S/C16H18N4O3/c1-3-7-14-17-13(19-22-14)10-20(4-2)16(21)15-11-8-5-6-9-12(11)18-23-15/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyQKTOYGDFPZLQIC-UHFFFAOYSA-N
XLogP2.83
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide (CID 50981440) is N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide is CCCc1nc(CN(CC)C(=O)c2onc3ccccc23)no1.
What is the InChIKey of N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide?
The InChIKey is QKTOYGDFPZLQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-3-7-14-17-13(19-22-14)10-20(4-2)16(21)15-11-8-5-6-9-12(11)18-23-15/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide?
N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 50981440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).