(1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide

C15H17FN2O3 — CID 155598519

IUPAC(1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CC1[C@@H]3CC[C@@H](CO3)N1C2
InChIInChI=1S/C15H17FN2O3/c16-12-4-9(15(19)17-20)3-8-5-13-14-2-1-10(7-21-14)18(13)6-11(8)12/h3-4,10,13-14,20H,1-2,5-7H2,(H,17,19)/t10-,13?,14-/m0/s1
InChIKeyWMLVAVDOBROZQI-LZRTYROISA-N
MW292.31 g/mol
LogP1.23
Rot. Bonds1

About (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide

(1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide (PubChem CID 155598519) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide.

Molecular Properties

Compound Name(1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide
PubChem CID155598519
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name(1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CC1[C@@H]3CC[C@@H](CO3)N1C2
InChIInChI=1S/C15H17FN2O3/c16-12-4-9(15(19)17-20)3-8-5-13-14-2-1-10(7-21-14)18(13)6-11(8)12/h3-4,10,13-14,20H,1-2,5-7H2,(H,17,19)/t10-,13?,14-/m0/s1
InChIKeyWMLVAVDOBROZQI-LZRTYROISA-N
XLogP1.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide?
The IUPAC name of (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide (CID 155598519) is (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide.
What is the SMILES notation for (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide?
The canonical SMILES for (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide is O=C(NO)c1cc(F)c2c(c1)CC1[C@@H]3CC[C@@H](CO3)N1C2.
What is the InChIKey of (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide?
The InChIKey is WMLVAVDOBROZQI-LZRTYROISA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-12-4-9(15(19)17-20)3-8-5-13-14-2-1-10(7-21-14)18(13)6-11(8)12/h3-4,10,13-14,20H,1-2,5-7H2,(H,17,19)/t10-,13?,14-/m0/s1.
What are the key properties of (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide?
(1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12S)-5-fluoro-N-hydroxy-13-oxa-2-azatetracyclo[10.2.2.02,11.04,9]hexadeca-4(9),5,7-triene-7-carboxamide is sourced from PubChem (CID 155598519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).