1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine

C24H23N3O3S — CID 71292830

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
SMILESCc1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)no1
InChIInChI=1S/C24H23N3O3S/c1-16-11-19(27-30-16)13-25-14-21-15-26-24(31-21)28-20-8-10-23-18(12-20)7-9-22(29-23)17-5-3-2-4-6-17/h2-6,8,10-12,15,22,25H,7,9,13-14H2,1H3
InChIKeyFHXYNPJEHHPPKC-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.59
Rot. Bonds7

About 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine

1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine (PubChem CID 71292830) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
PubChem CID71292830
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
SMILESCc1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)no1
InChIInChI=1S/C24H23N3O3S/c1-16-11-19(27-30-16)13-25-14-21-15-26-24(31-21)28-20-8-10-23-18(12-20)7-9-22(29-23)17-5-3-2-4-6-17/h2-6,8,10-12,15,22,25H,7,9,13-14H2,1H3
InChIKeyFHXYNPJEHHPPKC-UHFFFAOYSA-N
XLogP5.59
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine (CID 71292830) is 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine is Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The InChIKey is FHXYNPJEHHPPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-11-19(27-30-16)13-25-14-21-15-26-24(31-21)28-20-8-10-23-18(12-20)7-9-22(29-23)17-5-3-2-4-6-17/h2-6,8,10-12,15,22,25H,7,9,13-14H2,1H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine has a molecular weight of 433.53 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 71292830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).