N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine

C19H17ClN2O2 — CID 26396145

IUPACN-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(Cc1ccco1)Cc1nc(-c2ccccc2Cl)oc1C
InChIInChI=1S/C19H17ClN2O2/c1-3-10-22(12-15-7-6-11-23-15)13-18-14(2)24-19(21-18)16-8-4-5-9-17(16)20/h1,4-9,11H,10,12-13H2,2H3
InChIKeyCUAGPPJDDVLXTO-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.53
Rot. Bonds6

About N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine

N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine (PubChem CID 26396145) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine
PubChem CID26396145
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(Cc1ccco1)Cc1nc(-c2ccccc2Cl)oc1C
InChIInChI=1S/C19H17ClN2O2/c1-3-10-22(12-15-7-6-11-23-15)13-18-14(2)24-19(21-18)16-8-4-5-9-17(16)20/h1,4-9,11H,10,12-13H2,2H3
InChIKeyCUAGPPJDDVLXTO-UHFFFAOYSA-N
XLogP4.53
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine (CID 26396145) is N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine is C#CCN(Cc1ccco1)Cc1nc(-c2ccccc2Cl)oc1C.
What is the InChIKey of N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine?
The InChIKey is CUAGPPJDDVLXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-10-22(12-15-7-6-11-23-15)13-18-14(2)24-19(21-18)16-8-4-5-9-17(16)20/h1,4-9,11H,10,12-13H2,2H3.
What are the key properties of N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine?
N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine has a molecular weight of 340.81 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 26396145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).