N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine

C15H13ClN2O2 — CID 56669398

IUPACN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine
SMILESClc1ccccc1-c1nc(CNCc2ccco2)co1
InChIInChI=1S/C15H13ClN2O2/c16-14-6-2-1-5-13(14)15-18-11(10-20-15)8-17-9-12-4-3-7-19-12/h1-7,10,17H,8-9H2
InChIKeyDZUNUAFKWNZMGA-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.88
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 56669398) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID56669398
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine
SMILESClc1ccccc1-c1nc(CNCc2ccco2)co1
InChIInChI=1S/C15H13ClN2O2/c16-14-6-2-1-5-13(14)15-18-11(10-20-15)8-17-9-12-4-3-7-19-12/h1-7,10,17H,8-9H2
InChIKeyDZUNUAFKWNZMGA-UHFFFAOYSA-N
XLogP3.88
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N',N'-diethylethane-1,2-diamine
CID 56658087
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine
CID 56665438
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 56672843
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288314
N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
CID 56675870
N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine
CID 56675593
N-[[2-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 65288466
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-propan-2-ylaniline
CID 56661945
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 60541099
2-(2-chlorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 15925601
2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56672942

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine (CID 56669398) is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine is Clc1ccccc1-c1nc(CNCc2ccco2)co1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is DZUNUAFKWNZMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-14-6-2-1-5-13(14)15-18-11(10-20-15)8-17-9-12-4-3-7-19-12/h1-7,10,17H,8-9H2.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 288.73 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 56669398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).