4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine

C15H16N4O — CID 106370092

IUPAC4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine
SMILESCc1nc(CNc2c(N)cnc3ccccc23)oc1C
InChIInChI=1S/C15H16N4O/c1-9-10(2)20-14(19-9)8-18-15-11-5-3-4-6-13(11)17-7-12(15)16/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyLDCXHMORCFDCQJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.03
Rot. Bonds3

About 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine (PubChem CID 106370092) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine
PubChem CID106370092
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine
SMILESCc1nc(CNc2c(N)cnc3ccccc23)oc1C
InChIInChI=1S/C15H16N4O/c1-9-10(2)20-14(19-9)8-18-15-11-5-3-4-6-13(11)17-7-12(15)16/h3-7H,8,16H2,1-2H3,(H,17,18)
InChIKeyLDCXHMORCFDCQJ-UHFFFAOYSA-N
XLogP3.03
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine 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

(3Z,6Z)-3-[(5-tert-butyl-1,3-oxazol-4-yl)methylidene]-6-(quinolin-4-ylmethylidene)piperazine-2,5-dione
CID 16068449
6-[(4-methylphenyl)methyl]-N-pyridin-3-yl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134807200
6-(3-phenylpropyl)-N-pyridin-3-yl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134808287
2-(aminomethyl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-4-carboxamide
CID 131900939
2,4-dimethyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)-1,3-oxazole-5-carboxamide
CID 131911967
2-[4-[(7-Fluoroquinolin-4-yl)amino]pentyl-(1,3-oxazol-2-ylmethyl)amino]ethanol
CID 167200255
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 104160224
8-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
CID 106369370
7-fluoro-8-N-[(5-methyl-1,3-oxazol-2-yl)methyl]quinoline-5,8-diamine
CID 106369619
8-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-fluoroquinoline-5,8-diamine
CID 106369883
7-fluoro-8-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-5,8-diamine
CID 106387602
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine
CID 119046010

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine (CID 106370092) is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine is Cc1nc(CNc2c(N)cnc3ccccc23)oc1C.
What is the InChIKey of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine?
The InChIKey is LDCXHMORCFDCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-10(2)20-14(19-9)8-18-15-11-5-3-4-6-13(11)17-7-12(15)16/h3-7H,8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine?
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinoline-3,4-diamine is sourced from PubChem (CID 106370092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).