N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine

C19H22FN3O3 — CID 161418971

IUPACN-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine
SMILESCc1cc(CC(=NO)c2nonc2CC2CC3COCC3C2)ccc1F
InChIInChI=1S/C19H22FN3O3/c1-11-4-12(2-3-16(11)20)7-17(21-24)19-18(22-26-23-19)8-13-5-14-9-25-10-15(14)6-13/h2-4,13-15,24H,5-10H2,1H3
InChIKeyNSVCXRWWDHJHKD-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.15
Rot. Bonds5

About N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine

N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine (PubChem CID 161418971) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine
PubChem CID161418971
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine
SMILESCc1cc(CC(=NO)c2nonc2CC2CC3COCC3C2)ccc1F
InChIInChI=1S/C19H22FN3O3/c1-11-4-12(2-3-16(11)20)7-17(21-24)19-18(22-26-23-19)8-13-5-14-9-25-10-15(14)6-13/h2-4,13-15,24H,5-10H2,1H3
InChIKeyNSVCXRWWDHJHKD-UHFFFAOYSA-N
XLogP3.15
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine (CID 161418971) is N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine is Cc1cc(CC(=NO)c2nonc2CC2CC3COCC3C2)ccc1F.
What is the InChIKey of N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is NSVCXRWWDHJHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-11-4-12(2-3-16(11)20)7-17(21-24)19-18(22-26-23-19)8-13-5-14-9-25-10-15(14)6-13/h2-4,13-15,24H,5-10H2,1H3.
What are the key properties of N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine?
N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 359.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-ylmethyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluoro-3-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 161418971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).