N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine

C18H14ClN5O — CID 133295543

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
SMILESClc1ccc(-c2noc(CCNc3ncnc4ccccc34)n2)cc1
InChIInChI=1S/C18H14ClN5O/c19-13-7-5-12(6-8-13)17-23-16(25-24-17)9-10-20-18-14-3-1-2-4-15(14)21-11-22-18/h1-8,11H,9-10H2,(H,20,21,22)
InChIKeyWDTAKJDPVHSFLA-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.99
Rot. Bonds5

About N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine (PubChem CID 133295543) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
PubChem CID133295543
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine
SMILESClc1ccc(-c2noc(CCNc3ncnc4ccccc34)n2)cc1
InChIInChI=1S/C18H14ClN5O/c19-13-7-5-12(6-8-13)17-23-16(25-24-17)9-10-20-18-14-3-1-2-4-15(14)21-11-22-18/h1-8,11H,9-10H2,(H,20,21,22)
InChIKeyWDTAKJDPVHSFLA-UHFFFAOYSA-N
XLogP3.99
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111982107
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
CID 67890696
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133295546
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-nitropyridin-2-amine
CID 133295463
1-benzyl-3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111554882
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295553
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]butanamide
CID 20819137
5-(2-benzylsulfanylethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 8798150

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine (CID 133295543) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine is Clc1ccc(-c2noc(CCNc3ncnc4ccccc34)n2)cc1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine?
The InChIKey is WDTAKJDPVHSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-13-7-5-12(6-8-13)17-23-16(25-24-17)9-10-20-18-14-3-1-2-4-15(14)21-11-22-18/h1-8,11H,9-10H2,(H,20,21,22).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine has a molecular weight of 351.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 133295543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).