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

C18H24N2O2 — CID 154744312

IUPAC5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCc1ncc(CNC2CCc3c(cccc3OC)C2)o1
InChIInChI=1S/C18H24N2O2/c1-3-5-18-20-12-15(22-18)11-19-14-8-9-16-13(10-14)6-4-7-17(16)21-2/h4,6-7,12,14,19H,3,5,8-11H2,1-2H3
InChIKeyXZZZWDPWYWEKKK-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.28
Rot. Bonds6

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

5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 154744312) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID154744312
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCc1ncc(CNC2CCc3c(cccc3OC)C2)o1
InChIInChI=1S/C18H24N2O2/c1-3-5-18-20-12-15(22-18)11-19-14-8-9-16-13(10-14)6-4-7-17(16)21-2/h4,6-7,12,14,19H,3,5,8-11H2,1-2H3
InChIKeyXZZZWDPWYWEKKK-UHFFFAOYSA-N
XLogP3.28
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 154744312) is 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CCCc1ncc(CNC2CCc3c(cccc3OC)C2)o1.
What is the InChIKey of 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XZZZWDPWYWEKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-5-18-20-12-15(22-18)11-19-14-8-9-16-13(10-14)6-4-7-17(16)21-2/h4,6-7,12,14,19H,3,5,8-11H2,1-2H3.
What are the key properties of 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 300.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2-propyl-1,3-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 154744312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).