N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine

C22H30N2O3 — CID 56774162

IUPACN-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine
SMILESCC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC1CCOCC1
InChIInChI=1S/C22H30N2O3/c1-22(2)16(13-21(22)23-17-8-10-25-11-9-17)12-18-14-20(27-24-18)15-26-19-6-4-3-5-7-19/h3-7,14,16-17,21,23H,8-13,15H2,1-2H3/t16-,21+/m1/s1
InChIKeyYKTWQHXDHYGHIC-IERDGZPVSA-N
MW370.49 g/mol
LogP3.98
Rot. Bonds7

About N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine

N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine (PubChem CID 56774162) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine
PubChem CID56774162
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine
SMILESCC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC1CCOCC1
InChIInChI=1S/C22H30N2O3/c1-22(2)16(13-21(22)23-17-8-10-25-11-9-17)12-18-14-20(27-24-18)15-26-19-6-4-3-5-7-19/h3-7,14,16-17,21,23H,8-13,15H2,1-2H3/t16-,21+/m1/s1
InChIKeyYKTWQHXDHYGHIC-IERDGZPVSA-N
XLogP3.98
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine (CID 56774162) is N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine is CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC1CCOCC1.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine?
The InChIKey is YKTWQHXDHYGHIC-IERDGZPVSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-22(2)16(13-21(22)23-17-8-10-25-11-9-17)12-18-14-20(27-24-18)15-26-19-6-4-3-5-7-19/h3-7,14,16-17,21,23H,8-13,15H2,1-2H3/t16-,21+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine?
N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine has a molecular weight of 370.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine is sourced from PubChem (CID 56774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).