2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine

C11H8ClN5O — CID 106405493

IUPAC2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
SMILESClc1nc(NCc2ncon2)c2ccccc2n1
InChIInChI=1S/C11H8ClN5O/c12-11-15-8-4-2-1-3-7(8)10(16-11)13-5-9-14-6-18-17-9/h1-4,6H,5H2,(H,13,15,16)
InChIKeyJAEKCAYIPVZQDU-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine

2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine (PubChem CID 106405493) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
PubChem CID106405493
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
SMILESClc1nc(NCc2ncon2)c2ccccc2n1
InChIInChI=1S/C11H8ClN5O/c12-11-15-8-4-2-1-3-7(8)10(16-11)13-5-9-14-6-18-17-9/h1-4,6H,5H2,(H,13,15,16)
InChIKeyJAEKCAYIPVZQDU-UHFFFAOYSA-N
XLogP2.28
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
CID 106411968
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
CID 55080452
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
2-chloro-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,5-diamine
CID 106393374
2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
CID 106193165
2-chloro-N-[(4-phenoxyphenyl)methyl]quinazolin-4-amine
CID 87480931
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
CID 146254293
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine
CID 59299621
3-[[(2-chloroquinazolin-4-yl)amino]methyl]benzoic acid
CID 173357452
4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile
CID 106403462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine (CID 106405493) is 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine is Clc1nc(NCc2ncon2)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine?
The InChIKey is JAEKCAYIPVZQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c12-11-15-8-4-2-1-3-7(8)10(16-11)13-5-9-14-6-18-17-9/h1-4,6H,5H2,(H,13,15,16).
What are the key properties of 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine?
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine has a molecular weight of 261.67 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 106405493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).