N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine

C19H16N4O — CID 97257154

IUPACN-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine
SMILESC[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccon1
InChIInChI=1S/C19H16N4O/c1-13(16-11-12-24-23-16)20-19-15-9-5-6-10-17(15)21-18(22-19)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21,22)/t13-/m1/s1
InChIKeyUCJBOJDQJIBCAF-CYBMUJFWSA-N
MW316.36 g/mol
LogP4.46
Rot. Bonds4

About N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine

N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine (PubChem CID 97257154) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine
PubChem CID97257154
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine
SMILESC[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccon1
InChIInChI=1S/C19H16N4O/c1-13(16-11-12-24-23-16)20-19-15-9-5-6-10-17(15)21-18(22-19)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21,22)/t13-/m1/s1
InChIKeyUCJBOJDQJIBCAF-CYBMUJFWSA-N
XLogP4.46
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine (CID 97257154) is N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine is C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccon1.
What is the InChIKey of N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine?
The InChIKey is UCJBOJDQJIBCAF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13(16-11-12-24-23-16)20-19-15-9-5-6-10-17(15)21-18(22-19)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine?
N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 97257154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).