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

C27H27N3O4S — CID 71293010

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C27H27N3O4S/c1-17-23(18(2)34-30-17)10-13-26(31)28-15-22-16-29-27(35-22)32-21-9-12-25-20(14-21)8-11-24(33-25)19-6-4-3-5-7-19/h3-7,9,12,14,16,24H,8,10-11,13,15H2,1-2H3,(H,28,31)
InChIKeyRMQYVXVQPYVHMH-UHFFFAOYSA-N
MW489.60 g/mol
LogP5.86
Rot. Bonds8

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide (PubChem CID 71293010) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide
PubChem CID71293010
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C27H27N3O4S/c1-17-23(18(2)34-30-17)10-13-26(31)28-15-22-16-29-27(35-22)32-21-9-12-25-20(14-21)8-11-24(33-25)19-6-4-3-5-7-19/h3-7,9,12,14,16,24H,8,10-11,13,15H2,1-2H3,(H,28,31)
InChIKeyRMQYVXVQPYVHMH-UHFFFAOYSA-N
XLogP5.86
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide (CID 71293010) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide is Cc1noc(C)c1CCC(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide?
The InChIKey is RMQYVXVQPYVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-17-23(18(2)34-30-17)10-13-26(31)28-15-22-16-29-27(35-22)32-21-9-12-25-20(14-21)8-11-24(33-25)19-6-4-3-5-7-19/h3-7,9,12,14,16,24H,8,10-11,13,15H2,1-2H3,(H,28,31).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide has a molecular weight of 489.60 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 71293010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).