(2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine

C16H21FN2O2 — CID 146453833

IUPAC(2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine
SMILESCCCCc1nc2ccc(OCC/C(=C/F)CN)cc2o1
InChIInChI=1S/C16H21FN2O2/c1-2-3-4-16-19-14-6-5-13(9-15(14)21-16)20-8-7-12(10-17)11-18/h5-6,9-10H,2-4,7-8,11,18H2,1H3/b12-10-
InChIKeyNGSZUMUEIFMWBP-BENRWUELSA-N
MW292.35 g/mol
LogP3.75
Rot. Bonds8

About (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine

(2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine (PubChem CID 146453833) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine.

Molecular Properties

Compound Name(2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine
PubChem CID146453833
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine
SMILESCCCCc1nc2ccc(OCC/C(=C/F)CN)cc2o1
InChIInChI=1S/C16H21FN2O2/c1-2-3-4-16-19-14-6-5-13(9-15(14)21-16)20-8-7-12(10-17)11-18/h5-6,9-10H,2-4,7-8,11,18H2,1H3/b12-10-
InChIKeyNGSZUMUEIFMWBP-BENRWUELSA-N
XLogP3.75
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine?
The IUPAC name of (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine (CID 146453833) is (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine.
What is the SMILES notation for (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine?
The canonical SMILES for (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine is CCCCc1nc2ccc(OCC/C(=C/F)CN)cc2o1.
What is the InChIKey of (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine?
The InChIKey is NGSZUMUEIFMWBP-BENRWUELSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-3-4-16-19-14-6-5-13(9-15(14)21-16)20-8-7-12(10-17)11-18/h5-6,9-10H,2-4,7-8,11,18H2,1H3/b12-10-.
What are the key properties of (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine?
(2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine has a molecular weight of 292.35 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-2-(fluoromethylidene)butan-1-amine is sourced from PubChem (CID 146453833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).