2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile

C18H19N5O2 — CID 121255756

IUPAC2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
SMILESCOc1cc2nc(C(N)CC(C)C)nc(C#N)c2cc1-c1cnco1
InChIInChI=1S/C18H19N5O2/c1-10(2)4-13(20)18-22-14-6-16(24-3)12(17-8-21-9-25-17)5-11(14)15(7-19)23-18/h5-6,8-10,13H,4,20H2,1-3H3
InChIKeyBJGMRGWCOBKGME-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.21
Rot. Bonds5

About 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile

2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile (PubChem CID 121255756) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
PubChem CID121255756
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
SMILESCOc1cc2nc(C(N)CC(C)C)nc(C#N)c2cc1-c1cnco1
InChIInChI=1S/C18H19N5O2/c1-10(2)4-13(20)18-22-14-6-16(24-3)12(17-8-21-9-25-17)5-11(14)15(7-19)23-18/h5-6,8-10,13H,4,20H2,1-3H3
InChIKeyBJGMRGWCOBKGME-UHFFFAOYSA-N
XLogP3.21
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile?
The IUPAC name of 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile (CID 121255756) is 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile is COc1cc2nc(C(N)CC(C)C)nc(C#N)c2cc1-c1cnco1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile?
The InChIKey is BJGMRGWCOBKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10(2)4-13(20)18-22-14-6-16(24-3)12(17-8-21-9-25-17)5-11(14)15(7-19)23-18/h5-6,8-10,13H,4,20H2,1-3H3.
What are the key properties of 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile?
2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile is sourced from PubChem (CID 121255756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).