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

C12H10ClN5O — CID 106405358

IUPAC2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
SMILESCc1nc(CNc2nc(Cl)nc3ccccc23)no1
InChIInChI=1S/C12H10ClN5O/c1-7-15-10(18-19-7)6-14-11-8-4-2-3-5-9(8)16-12(13)17-11/h2-5H,6H2,1H3,(H,14,16,17)
InChIKeyYXEMCJPQGQNWQJ-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.59
Rot. Bonds3

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

2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine (PubChem CID 106405358) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
PubChem CID106405358
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
SMILESCc1nc(CNc2nc(Cl)nc3ccccc23)no1
InChIInChI=1S/C12H10ClN5O/c1-7-15-10(18-19-7)6-14-11-8-4-2-3-5-9(8)16-12(13)17-11/h2-5H,6H2,1H3,(H,14,16,17)
InChIKeyYXEMCJPQGQNWQJ-UHFFFAOYSA-N
XLogP2.59
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
CID 106405493
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
CID 55080452
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 114184263
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 113243841
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
CID 146254293
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
CID 166327131
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine (CID 106405358) is 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine is Cc1nc(CNc2nc(Cl)nc3ccccc23)no1.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine?
The InChIKey is YXEMCJPQGQNWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-7-15-10(18-19-7)6-14-11-8-4-2-3-5-9(8)16-12(13)17-11/h2-5H,6H2,1H3,(H,14,16,17).
What are the key properties of 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine?
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine has a molecular weight of 275.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 106405358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).