N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine

C16H20N2O2 — CID 122569432

IUPACN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
SMILESCc1ccc(-c2cc(CNC3CCCOC3)no2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)16-9-15(18-20-16)10-17-14-3-2-8-19-11-14/h4-7,9,14,17H,2-3,8,10-11H2,1H3
InChIKeyKQOFYBBRTZTIIJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds4

About N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine

N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine (PubChem CID 122569432) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
PubChem CID122569432
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
SMILESCc1ccc(-c2cc(CNC3CCCOC3)no2)cc1
InChIInChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)16-9-15(18-20-16)10-17-14-3-2-8-19-11-14/h4-7,9,14,17H,2-3,8,10-11H2,1H3
InChIKeyKQOFYBBRTZTIIJ-UHFFFAOYSA-N
XLogP2.92
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122564765
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 63360497
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine?
The IUPAC name of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine (CID 122569432) is N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine?
The canonical SMILES for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine is Cc1ccc(-c2cc(CNC3CCCOC3)no2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine?
The InChIKey is KQOFYBBRTZTIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-6-13(7-5-12)16-9-15(18-20-16)10-17-14-3-2-8-19-11-14/h4-7,9,14,17H,2-3,8,10-11H2,1H3.
What are the key properties of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine?
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine has a molecular weight of 272.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine is sourced from PubChem (CID 122569432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).