8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

C20H18Cl2N2O2 — CID 25270194

IUPAC8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2N2O2/c1-11-19(13-6-8-16(21)17(22)9-13)26-20(23-11)24-18-4-2-3-12-5-7-14(25)10-15(12)18/h2-4,6,8-9,14,25H,5,7,10H2,1H3,(H,23,24)
InChIKeyILTSFMMDLNDSDA-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.55
Rot. Bonds3

About 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 25270194) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID25270194
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2N2O2/c1-11-19(13-6-8-16(21)17(22)9-13)26-20(23-11)24-18-4-2-3-12-5-7-14(25)10-15(12)18/h2-4,6,8-9,14,25H,5,7,10H2,1H3,(H,23,24)
InChIKeyILTSFMMDLNDSDA-UHFFFAOYSA-N
XLogP5.55
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 25270194) is 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is Cc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is ILTSFMMDLNDSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-11-19(13-6-8-16(21)17(22)9-13)26-20(23-11)24-18-4-2-3-12-5-7-14(25)10-15(12)18/h2-4,6,8-9,14,25H,5,7,10H2,1H3,(H,23,24).
What are the key properties of 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 389.28 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(3,4-dichlorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 25270194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).