5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine

C15H19N5O2 — CID 97059814

IUPAC5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
SMILESCCc1noc([C@@H](C)Nc2ccc3oc(N(C)C)nc3c2)n1
InChIInChI=1S/C15H19N5O2/c1-5-13-18-14(22-19-13)9(2)16-10-6-7-12-11(8-10)17-15(21-12)20(3)4/h6-9,16H,5H2,1-4H3/t9-/m1/s1
InChIKeyVNCXXKMJEVKWFD-SECBINFHSA-N
MW301.35 g/mol
LogP3.01
Rot. Bonds5

About 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine

5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine (PubChem CID 97059814) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
PubChem CID97059814
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
SMILESCCc1noc([C@@H](C)Nc2ccc3oc(N(C)C)nc3c2)n1
InChIInChI=1S/C15H19N5O2/c1-5-13-18-14(22-19-13)9(2)16-10-6-7-12-11(8-10)17-15(21-12)20(3)4/h6-9,16H,5H2,1-4H3/t9-/m1/s1
InChIKeyVNCXXKMJEVKWFD-SECBINFHSA-N
XLogP3.01
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine (CID 97059814) is 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine is CCc1noc([C@@H](C)Nc2ccc3oc(N(C)C)nc3c2)n1.
What is the InChIKey of 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine?
The InChIKey is VNCXXKMJEVKWFD-SECBINFHSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-5-13-18-14(22-19-13)9(2)16-10-6-7-12-11(8-10)17-15(21-12)20(3)4/h6-9,16H,5H2,1-4H3/t9-/m1/s1.
What are the key properties of 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine?
5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine has a molecular weight of 301.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 97059814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).