2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

C16H17FN4O3 — CID 87718946

IUPAC2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccc(F)cc3)CCOCC2)nc1
InChIInChI=1S/C16H17FN4O3/c17-13-3-1-12(2-4-13)16(5-7-24-8-6-16)20-15-18-9-11(10-19-15)14(22)21-23/h1-4,9-10,23H,5-8H2,(H,21,22)(H,18,19,20)
InChIKeyMRAXDFMXEYVJHM-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.85
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 87718946) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID87718946
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccc(F)cc3)CCOCC2)nc1
InChIInChI=1S/C16H17FN4O3/c17-13-3-1-12(2-4-13)16(5-7-24-8-6-16)20-15-18-9-11(10-19-15)14(22)21-23/h1-4,9-10,23H,5-8H2,(H,21,22)(H,18,19,20)
InChIKeyMRAXDFMXEYVJHM-UHFFFAOYSA-N
XLogP1.85
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 87718946) is 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccc(F)cc3)CCOCC2)nc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is MRAXDFMXEYVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-13-3-1-12(2-4-13)16(5-7-24-8-6-16)20-15-18-9-11(10-19-15)14(22)21-23/h1-4,9-10,23H,5-8H2,(H,21,22)(H,18,19,20).
What are the key properties of 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 87718946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).