1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine

C24H26N2O2 — CID 15198021

IUPAC1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine
SMILESNC1C2CC3CC(C2)CC1(OCc1ccc(-c2nc4ccccc4o2)cc1)C3
InChIInChI=1S/C24H26N2O2/c25-22-19-10-16-9-17(11-19)13-24(22,12-16)27-14-15-5-7-18(8-6-15)23-26-20-3-1-2-4-21(20)28-23/h1-8,16-17,19,22H,9-14,25H2
InChIKeyZEUVNTQFKFRPIC-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.92
Rot. Bonds4

About 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine

1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine (PubChem CID 15198021) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine.

Molecular Properties

Compound Name1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine
PubChem CID15198021
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine
SMILESNC1C2CC3CC(C2)CC1(OCc1ccc(-c2nc4ccccc4o2)cc1)C3
InChIInChI=1S/C24H26N2O2/c25-22-19-10-16-9-17(11-19)13-24(22,12-16)27-14-15-5-7-18(8-6-15)23-26-20-3-1-2-4-21(20)28-23/h1-8,16-17,19,22H,9-14,25H2
InChIKeyZEUVNTQFKFRPIC-UHFFFAOYSA-N
XLogP4.92
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine?
The IUPAC name of 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine (CID 15198021) is 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine.
What is the SMILES notation for 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine?
The canonical SMILES for 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine is NC1C2CC3CC(C2)CC1(OCc1ccc(-c2nc4ccccc4o2)cc1)C3.
What is the InChIKey of 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine?
The InChIKey is ZEUVNTQFKFRPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c25-22-19-10-16-9-17(11-19)13-24(22,12-16)27-14-15-5-7-18(8-6-15)23-26-20-3-1-2-4-21(20)28-23/h1-8,16-17,19,22H,9-14,25H2.
What are the key properties of 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine?
1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine has a molecular weight of 374.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine is sourced from PubChem (CID 15198021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).