6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one

C22H26N2O3 — CID 10808906

IUPAC6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C22H26N2O3/c1-24(12-11-15-9-10-19-21(13-15)27-22(25)23-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyCNKACCQCBCIPTI-INIZCTEOSA-N
MW366.46 g/mol
LogP3.72
Rot. Bonds6

About 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one

6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 10808906) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one
PubChem CID10808906
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C22H26N2O3/c1-24(12-11-15-9-10-19-21(13-15)27-22(25)23-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyCNKACCQCBCIPTI-INIZCTEOSA-N
XLogP3.72
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one (CID 10808906) is 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is CNKACCQCBCIPTI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-24(12-11-15-9-10-19-21(13-15)27-22(25)23-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one?
6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 366.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 10808906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).