5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one

C14H16N4O2 — CID 66132141

IUPAC5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESCCCn1cncc1CNc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H16N4O2/c1-2-5-18-9-15-7-11(18)8-16-10-3-4-13-12(6-10)17-14(19)20-13/h3-4,6-7,9,16H,2,5,8H2,1H3,(H,17,19)
InChIKeyFGXICOCQYPYPHG-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.34
Rot. Bonds5

About 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one

5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 66132141) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID66132141
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESCCCn1cncc1CNc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H16N4O2/c1-2-5-18-9-15-7-11(18)8-16-10-3-4-13-12(6-10)17-14(19)20-13/h3-4,6-7,9,16H,2,5,8H2,1H3,(H,17,19)
InChIKeyFGXICOCQYPYPHG-UHFFFAOYSA-N
XLogP2.34
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one (CID 66132141) is 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one is CCCn1cncc1CNc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is FGXICOCQYPYPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-5-18-9-15-7-11(18)8-16-10-3-4-13-12(6-10)17-14(19)20-13/h3-4,6-7,9,16H,2,5,8H2,1H3,(H,17,19).
What are the key properties of 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one?
5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 272.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propylimidazol-4-yl)methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 66132141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).