1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine

C17H20N4O2 — CID 121255719

IUPAC1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
SMILESCOc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12
InChIInChI=1S/C17H20N4O2/c1-10(2)6-13(18)16-20-14-5-4-11(15-8-19-9-23-15)7-12(14)17(21-16)22-3/h4-5,7-10,13H,6,18H2,1-3H3
InChIKeyPHVBRMCYTZAOLR-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.34
Rot. Bonds5

About 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine

1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine (PubChem CID 121255719) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
PubChem CID121255719
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
SMILESCOc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12
InChIInChI=1S/C17H20N4O2/c1-10(2)6-13(18)16-20-14-5-4-11(15-8-19-9-23-15)7-12(14)17(21-16)22-3/h4-5,7-10,13H,6,18H2,1-3H3
InChIKeyPHVBRMCYTZAOLR-UHFFFAOYSA-N
XLogP3.34
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine with MolForge

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Related Compounds

(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 162625321
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-(oxazol-2-yl)phenyl)pyridin-2(1H)-one
CID 24879368
[2-Methoxy-6-(3-oxazol-5-yl-phenyl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53324534
2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255746
2-(1-Amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
CID 121255756
2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255769
1-[4-Ethyl-7-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255772
2-(1-Amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
CID 121255790
1-[7-Methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255805
1-[4-Ethoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255811
1-[5-Methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121255817
3-Methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
CID 121255889

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine (CID 121255719) is 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine is COc1nc(C(N)CC(C)C)nc2ccc(-c3cnco3)cc12.
What is the InChIKey of 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
The InChIKey is PHVBRMCYTZAOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(2)6-13(18)16-20-14-5-4-11(15-8-19-9-23-15)7-12(14)17(21-16)22-3/h4-5,7-10,13H,6,18H2,1-3H3.
What are the key properties of 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine?
1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine has a molecular weight of 312.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 121255719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).