(1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine

C16H21N3O2 — CID 171105521

IUPAC(1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine
SMILESCc1ncoc1-c1ccc([C@@H](N)CN2CCOCC2)cc1
InChIInChI=1S/C16H21N3O2/c1-12-16(21-11-18-12)14-4-2-13(3-5-14)15(17)10-19-6-8-20-9-7-19/h2-5,11,15H,6-10,17H2,1H3/t15-/m0/s1
InChIKeyJPFYDHBZXTYCSM-HNNXBMFYSA-N
MW287.36 g/mol
LogP1.98
Rot. Bonds4

About (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine

(1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine (PubChem CID 171105521) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine
PubChem CID171105521
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine
SMILESCc1ncoc1-c1ccc([C@@H](N)CN2CCOCC2)cc1
InChIInChI=1S/C16H21N3O2/c1-12-16(21-11-18-12)14-4-2-13(3-5-14)15(17)10-19-6-8-20-9-7-19/h2-5,11,15H,6-10,17H2,1H3/t15-/m0/s1
InChIKeyJPFYDHBZXTYCSM-HNNXBMFYSA-N
XLogP1.98
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine?
The IUPAC name of (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine (CID 171105521) is (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine is Cc1ncoc1-c1ccc([C@@H](N)CN2CCOCC2)cc1.
What is the InChIKey of (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine?
The InChIKey is JPFYDHBZXTYCSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-16(21-11-18-12)14-4-2-13(3-5-14)15(17)10-19-6-8-20-9-7-19/h2-5,11,15H,6-10,17H2,1H3/t15-/m0/s1.
What are the key properties of (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine?
(1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine has a molecular weight of 287.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 171105521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).