N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine

C20H21ClN2O3 — CID 60585191

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESClc1ccc(-c2cc(CN(Cc3ccco3)CC3CCCO3)on2)cc1
InChIInChI=1S/C20H21ClN2O3/c21-16-7-5-15(6-8-16)20-11-19(26-22-20)14-23(12-17-3-1-9-24-17)13-18-4-2-10-25-18/h1,3,5-9,11,18H,2,4,10,12-14H2
InChIKeyXZXVMTKLFSBOOO-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.77
Rot. Bonds7

About N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 60585191) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID60585191
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESClc1ccc(-c2cc(CN(Cc3ccco3)CC3CCCO3)on2)cc1
InChIInChI=1S/C20H21ClN2O3/c21-16-7-5-15(6-8-16)20-11-19(26-22-20)14-23(12-17-3-1-9-24-17)13-18-4-2-10-25-18/h1,3,5-9,11,18H,2,4,10,12-14H2
InChIKeyXZXVMTKLFSBOOO-UHFFFAOYSA-N
XLogP4.77
TPSA51.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47078030
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
CID 99613583
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 47537127
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 47537063
2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 60585190
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 45193579
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 60585191) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine is Clc1ccc(-c2cc(CN(Cc3ccco3)CC3CCCO3)on2)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is XZXVMTKLFSBOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-16-7-5-15(6-8-16)20-11-19(26-22-20)14-23(12-17-3-1-9-24-17)13-18-4-2-10-25-18/h1,3,5-9,11,18H,2,4,10,12-14H2.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 372.85 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 60585191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).