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

C21H20N4O2 — CID 3233914

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1nc(-c2c(C)noc2C)nc2ccccc12
InChIInChI=1S/C21H20N4O2/c1-13-19(14(2)27-25-13)21-23-17-10-6-5-9-16(17)20(24-21)22-12-15-8-4-7-11-18(15)26-3/h4-11H,12H2,1-3H3,(H,22,23,24)
InChIKeyPXEZALBLYXTSCR-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.52
Rot. Bonds5

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 3233914) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID3233914
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1CNc1nc(-c2c(C)noc2C)nc2ccccc12
InChIInChI=1S/C21H20N4O2/c1-13-19(14(2)27-25-13)21-23-17-10-6-5-9-16(17)20(24-21)22-12-15-8-4-7-11-18(15)26-3/h4-11H,12H2,1-3H3,(H,22,23,24)
InChIKeyPXEZALBLYXTSCR-UHFFFAOYSA-N
XLogP4.52
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine with MolForge

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Related Compounds

1-(3,6-Dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 134611711
2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233294
(E)-N-hydroxy-3-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]prop-2-enamide
CID 168291933
3,5-Dimethyl-4-(quinazolin-4-yloxymethyl)-1,2-oxazole
CID 2387227
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
CID 11495368
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methoxyphenyl)methyl]-4-quinazolinamine
CID 17757075
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 19988703
5-[(5-Methyl-1,2-oxazol-3-yl)methoxy]quinazoline-2,4-diamine
CID 24778165
4-[(2-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66762624
3,5-Dimethyl-4-[(2-methylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 2419721
N-[(2,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
CID 3232843
4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
CID 3233030

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine (CID 3233914) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccccc1CNc1nc(-c2c(C)noc2C)nc2ccccc12.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is PXEZALBLYXTSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-19(14(2)27-25-13)21-23-17-10-6-5-9-16(17)20(24-21)22-12-15-8-4-7-11-18(15)26-3/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-[(2-methoxyphenyl)methyl]quinazolin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3233914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).