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

C14H14N4O — CID 3234198

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2c(C)noc2C)nc2ccccc12
InChIInChI=1S/C14H14N4O/c1-8-12(9(2)19-18-8)14-16-11-7-5-4-6-10(11)13(15-3)17-14/h4-7H,1-3H3,(H,15,16,17)
InChIKeyCMHQQCUXPLMIIQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.94
Rot. Bonds2

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine (PubChem CID 3234198) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine
PubChem CID3234198
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2c(C)noc2C)nc2ccccc12
InChIInChI=1S/C14H14N4O/c1-8-12(9(2)19-18-8)14-16-11-7-5-4-6-10(11)13(15-3)17-14/h4-7H,1-3H3,(H,15,16,17)
InChIKeyCMHQQCUXPLMIIQ-UHFFFAOYSA-N
XLogP2.94
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(3,5-Dimethyl-1,2-oxazol-4-yl)methylideneamino]quinolin-2-amine
CID 9684263
2-(3,5-dimethylisoxazol-4-yl)-N-(3-ethylphenyl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 25110840
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204902
N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
CID 146188223
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
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233914
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-(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
N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 3234558
6-(3,5-dimethylisoxazol-4-yl)-N-(3-methylbenzyl)quinazolin-4-amine
CID 3234644

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine (CID 3234198) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine is CNc1nc(-c2c(C)noc2C)nc2ccccc12.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine?
The InChIKey is CMHQQCUXPLMIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-12(9(2)19-18-8)14-16-11-7-5-4-6-10(11)13(15-3)17-14/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 3234198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).