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

C15H16N4O — CID 47184743

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine
SMILESCc1noc(C)c1CN(C)c1ncnc2ccccc12
InChIInChI=1S/C15H16N4O/c1-10-13(11(2)20-18-10)8-19(3)15-12-6-4-5-7-14(12)16-9-17-15/h4-7,9H,8H2,1-3H3
InChIKeyPZMMXZUTYSXJIO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.87
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine (PubChem CID 47184743) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine
PubChem CID47184743
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine
SMILESCc1noc(C)c1CN(C)c1ncnc2ccccc12
InChIInChI=1S/C15H16N4O/c1-10-13(11(2)20-18-10)8-19(3)15-12-6-4-5-7-14(12)16-9-17-15/h4-7,9H,8H2,1-3H3
InChIKeyPZMMXZUTYSXJIO-UHFFFAOYSA-N
XLogP2.87
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Fluorophenyl)piperazino]-3-methylisoxazolo[5,4-d]pyrimidine
CID 1481214
N-[(E)-(3,5-Dimethyl-1,2-oxazol-4-yl)methylideneamino]quinolin-2-amine
CID 9684263
1-[6-(3,5-Dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]piperidine-4-carboxylic acid
CID 3235557
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204902
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)quinazolin-4-amine
CID 3232664
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylquinazolin-4-amine
CID 3232945
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3233783
3,5-Dimethyl-4-(4-piperazin-1-ylquinazolin-2-yl)-1,2-oxazole
CID 3233975
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine
CID 3234198
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 3234356
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
CID 3234437

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine (CID 47184743) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine is Cc1noc(C)c1CN(C)c1ncnc2ccccc12.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine?
The InChIKey is PZMMXZUTYSXJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-13(11(2)20-18-10)8-19(3)15-12-6-4-5-7-14(12)16-9-17-15/h4-7,9H,8H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 47184743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).