2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine

C17H17ClN4O2 — CID 132652576

IUPAC2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESClc1ccccc1Cn1cc(C2OCCN2Cc2ccco2)nn1
InChIInChI=1S/C17H17ClN4O2/c18-15-6-2-1-4-13(15)10-22-12-16(19-20-22)17-21(7-9-24-17)11-14-5-3-8-23-14/h1-6,8,12,17H,7,9-11H2
InChIKeyPKZZTCJFRLQQBD-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine

2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (PubChem CID 132652576) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
PubChem CID132652576
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESClc1ccccc1Cn1cc(C2OCCN2Cc2ccco2)nn1
InChIInChI=1S/C17H17ClN4O2/c18-15-6-2-1-4-13(15)10-22-12-16(19-20-22)17-21(7-9-24-17)11-14-5-3-8-23-14/h1-6,8,12,17H,7,9-11H2
InChIKeyPKZZTCJFRLQQBD-UHFFFAOYSA-N
XLogP3.10
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
CID 99966743
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-[(3-methylphenyl)methyl]-1,3-oxazolidine
CID 99966667
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-phenyl-1,3-oxazolidine
CID 132652150
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,3-oxazolidine
CID 99966302
(2S)-3-benzyl-2-[1-[(2-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966574
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(4-fluorophenyl)-1,3-oxazolidine
CID 99966536
(2R)-2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(3-methoxyphenyl)-1,3-oxazolidine
CID 99966379
2-[[4-[(2S)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-yl]triazol-1-yl]methyl]benzonitrile
CID 99966632
(2S)-3-[(4-methylphenyl)methyl]-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966616
(2R)-2-[1-[(4-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methylphenyl)methyl]-1,3-oxazolidine
CID 99966623
(2R)-3-benzyl-2-[1-[(3-bromophenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966607
(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (CID 132652576) is 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is Clc1ccccc1Cn1cc(C2OCCN2Cc2ccco2)nn1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is PKZZTCJFRLQQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-15-6-2-1-4-13(15)10-22-12-16(19-20-22)17-21(7-9-24-17)11-14-5-3-8-23-14/h1-6,8,12,17H,7,9-11H2.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine has a molecular weight of 344.80 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 132652576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).