N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine

C18H18FN5O — CID 126918750

IUPACN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc2oc(NCC3CN(c4cc5c(nn4)CCC5)C3)nc2c1
InChIInChI=1S/C18H18FN5O/c19-13-4-5-16-15(7-13)21-18(25-16)20-8-11-9-24(10-11)17-6-12-2-1-3-14(12)22-23-17/h4-7,11H,1-3,8-10H2,(H,20,21)
InChIKeyBTDSFKWGZWKDHW-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.79
Rot. Bonds4

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine (PubChem CID 126918750) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine
PubChem CID126918750
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc2oc(NCC3CN(c4cc5c(nn4)CCC5)C3)nc2c1
InChIInChI=1S/C18H18FN5O/c19-13-4-5-16-15(7-13)21-18(25-16)20-8-11-9-24(10-11)17-6-12-2-1-3-14(12)22-23-17/h4-7,11H,1-3,8-10H2,(H,20,21)
InChIKeyBTDSFKWGZWKDHW-UHFFFAOYSA-N
XLogP2.79
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine (CID 126918750) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine is Fc1ccc2oc(NCC3CN(c4cc5c(nn4)CCC5)C3)nc2c1.
What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is BTDSFKWGZWKDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-13-4-5-16-15(7-13)21-18(25-16)20-8-11-9-24(10-11)17-6-12-2-1-3-14(12)22-23-17/h4-7,11H,1-3,8-10H2,(H,20,21).
What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine?
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 339.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 126918750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).