N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C27H26N2O2 — CID 18367394

IUPACN-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2NCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C27H26N2O2/c1-30-24-17-9-14-21-22(24)15-8-16-23(21)28-18-25-29-26(19-10-4-2-5-11-19)27(31-25)20-12-6-3-7-13-20/h2-7,9-14,17,23,28H,8,15-16,18H2,1H3
InChIKeyJXLNBFUETYJPOD-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.18
Rot. Bonds6

About N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 18367394) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID18367394
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2NCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C27H26N2O2/c1-30-24-17-9-14-21-22(24)15-8-16-23(21)28-18-25-29-26(19-10-4-2-5-11-19)27(31-25)20-12-6-3-7-13-20/h2-7,9-14,17,23,28H,8,15-16,18H2,1H3
InChIKeyJXLNBFUETYJPOD-UHFFFAOYSA-N
XLogP6.18
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 18367394) is N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cccc2c1CCCC2NCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JXLNBFUETYJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-30-24-17-9-14-21-22(24)15-8-16-23(21)28-18-25-29-26(19-10-4-2-5-11-19)27(31-25)20-12-6-3-7-13-20/h2-7,9-14,17,23,28H,8,15-16,18H2,1H3.
What are the key properties of N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 410.52 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 18367394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).