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

C21H20N4O — CID 3234437

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1cccc(CNc2nc(-c3c(C)noc3C)nc3ccccc23)c1
InChIInChI=1S/C21H20N4O/c1-13-7-6-8-16(11-13)12-22-20-17-9-4-5-10-18(17)23-21(24-20)19-14(2)25-26-15(19)3/h4-11H,12H2,1-3H3,(H,22,23,24)
InChIKeyIWFLBVWPEBTQRU-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.82
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine (PubChem CID 3234437) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
PubChem CID3234437
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1cccc(CNc2nc(-c3c(C)noc3C)nc3ccccc23)c1
InChIInChI=1S/C21H20N4O/c1-13-7-6-8-16(11-13)12-22-20-17-9-4-5-10-18(17)23-21(24-20)19-14(2)25-26-15(19)3/h4-11H,12H2,1-3H3,(H,22,23,24)
InChIKeyIWFLBVWPEBTQRU-UHFFFAOYSA-N
XLogP4.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide
CID 17757086
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
4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine
CID 129165729
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpiperidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165758
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]quinazolin-4-amine
CID 129165803
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165841
N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 129165993
2-chloro-N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129166147
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylazetidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129166228
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-(2-methoxyethyl)quinazolin-4-amine
CID 3232664

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine (CID 3234437) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine is Cc1cccc(CNc2nc(-c3c(C)noc3C)nc3ccccc23)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
The InChIKey is IWFLBVWPEBTQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-7-6-8-16(11-13)12-22-20-17-9-4-5-10-18(17)23-21(24-20)19-14(2)25-26-15(19)3/h4-11H,12H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methylphenyl)methyl]quinazolin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 4.82, 4 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-[(3-methylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).