N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

C20H21FN4O2 — CID 5275501

IUPACN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C20H21FN4O2/c1-24-8-10-25(11-9-24)13-19(26)22-16-6-7-18-17(12-16)23-20(27-18)14-2-4-15(21)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyJDPMABUJJNIWLI-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.82
Rot. Bonds4

About N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 5275501) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID5275501
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C20H21FN4O2/c1-24-8-10-25(11-9-24)13-19(26)22-16-6-7-18-17(12-16)23-20(27-18)14-2-4-15(21)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyJDPMABUJJNIWLI-UHFFFAOYSA-N
XLogP2.82
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 5275501) is N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is JDPMABUJJNIWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-24-8-10-25(11-9-24)13-19(26)22-16-6-7-18-17(12-16)23-20(27-18)14-2-4-15(21)5-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 368.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5275501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).