N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine

C17H20N4O — CID 133428511

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NCc3ncc(C(C)(C)C)o3)c2c1
InChIInChI=1S/C17H20N4O/c1-11-5-6-13-12(7-11)16(21-10-20-13)19-9-15-18-8-14(22-15)17(2,3)4/h5-8,10H,9H2,1-4H3,(H,19,20,21)
InChIKeyOYHCBCMIUBVCFF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.84
Rot. Bonds3

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine (PubChem CID 133428511) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine
PubChem CID133428511
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NCc3ncc(C(C)(C)C)o3)c2c1
InChIInChI=1S/C17H20N4O/c1-11-5-6-13-12(7-11)16(21-10-20-13)19-9-15-18-8-14(22-15)17(2,3)4/h5-8,10H,9H2,1-4H3,(H,19,20,21)
InChIKeyOYHCBCMIUBVCFF-UHFFFAOYSA-N
XLogP3.84
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine (CID 133428511) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine is Cc1ccc2ncnc(NCc3ncc(C(C)(C)C)o3)c2c1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine?
The InChIKey is OYHCBCMIUBVCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-5-6-13-12(7-11)16(21-10-20-13)19-9-15-18-8-14(22-15)17(2,3)4/h5-8,10H,9H2,1-4H3,(H,19,20,21).
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine has a molecular weight of 296.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-methylquinazolin-4-amine is sourced from PubChem (CID 133428511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).