2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide

C18H22FN5O2 — CID 71601848

IUPAC2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1nc2c(o1)CCCC2
InChIInChI=1S/C18H22FN5O2/c19-13-5-6-16(20-11-13)24-9-7-23(8-10-24)12-17(25)22-18-21-14-3-1-2-4-15(14)26-18/h5-6,11H,1-4,7-10,12H2,(H,21,22,25)
InChIKeyDOMJSSFQACRFCR-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.85
Rot. Bonds4

About 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide

2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide (PubChem CID 71601848) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide
PubChem CID71601848
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1nc2c(o1)CCCC2
InChIInChI=1S/C18H22FN5O2/c19-13-5-6-16(20-11-13)24-9-7-23(8-10-24)12-17(25)22-18-21-14-3-1-2-4-15(14)26-18/h5-6,11H,1-4,7-10,12H2,(H,21,22,25)
InChIKeyDOMJSSFQACRFCR-UHFFFAOYSA-N
XLogP1.85
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide (CID 71601848) is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide is O=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1nc2c(o1)CCCC2.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide?
The InChIKey is DOMJSSFQACRFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-13-5-6-16(20-11-13)24-9-7-23(8-10-24)12-17(25)22-18-21-14-3-1-2-4-15(14)26-18/h5-6,11H,1-4,7-10,12H2,(H,21,22,25).
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide?
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide is sourced from PubChem (CID 71601848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).