(2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine

C15H20FN3O — CID 162496683

IUPAC(2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine
SMILESCCCCc1nc2ccc(NC/C(=C\F)CN)cc2o1
InChIInChI=1S/C15H20FN3O/c1-2-3-4-15-19-13-6-5-12(7-14(13)20-15)18-10-11(8-16)9-17/h5-8,18H,2-4,9-10,17H2,1H3/b11-8-
InChIKeyRDAIGHUAPIGDJN-FLIBITNWSA-N
MW277.34 g/mol
LogP3.39
Rot. Bonds7

About (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine

(2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine (PubChem CID 162496683) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine.

Molecular Properties

Compound Name(2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine
PubChem CID162496683
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine
SMILESCCCCc1nc2ccc(NC/C(=C\F)CN)cc2o1
InChIInChI=1S/C15H20FN3O/c1-2-3-4-15-19-13-6-5-12(7-14(13)20-15)18-10-11(8-16)9-17/h5-8,18H,2-4,9-10,17H2,1H3/b11-8-
InChIKeyRDAIGHUAPIGDJN-FLIBITNWSA-N
XLogP3.39
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L 696229
CID 72352
L 696040
CID 131887
2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454408
2(1H)-Pyridinone, 5-ethyl-3-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454411
3-[(4,7-difluoro-1,3-benzoxazol-2-yl)methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 454413
3-(1,3-benzoxazol-2-ylmethylamino)-6-methyl-5-methylsulfanyl-1H-pyridin-2-one
CID 454432
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-acetamide
CID 22718561
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-butyramide
CID 9970584
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-propionamide
CID 10015475
N-[3-(2-Methyl-benzooxazol-7-yl)-propyl]-propionamide
CID 10332159
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785

Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine?
The IUPAC name of (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine (CID 162496683) is (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine.
What is the SMILES notation for (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine?
The canonical SMILES for (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine is CCCCc1nc2ccc(NC/C(=C\F)CN)cc2o1.
What is the InChIKey of (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine?
The InChIKey is RDAIGHUAPIGDJN-FLIBITNWSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-2-3-4-15-19-13-6-5-12(7-14(13)20-15)18-10-11(8-16)9-17/h5-8,18H,2-4,9-10,17H2,1H3/b11-8-.
What are the key properties of (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine?
(2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine has a molecular weight of 277.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-(2-butyl-1,3-benzoxazol-6-yl)-2-(fluoromethylidene)propane-1,3-diamine is sourced from PubChem (CID 162496683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).