(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole

C16H28N4O2 — CID 101211386

IUPAC(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@H]1COC(N2CCCN(C3=N[C@@H](CC)CO3)CCC2)=N1
InChIInChI=1S/C16H28N4O2/c1-3-13-11-21-15(17-13)19-7-5-9-20(10-6-8-19)16-18-14(4-2)12-22-16/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyCIDCBYIOFBGSOU-KBPBESRZSA-N
MW308.43 g/mol
LogP1.71
Rot. Bonds2

About (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 101211386) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole
PubChem CID101211386
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@H]1COC(N2CCCN(C3=N[C@@H](CC)CO3)CCC2)=N1
InChIInChI=1S/C16H28N4O2/c1-3-13-11-21-15(17-13)19-7-5-9-20(10-6-8-19)16-18-14(4-2)12-22-16/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyCIDCBYIOFBGSOU-KBPBESRZSA-N
XLogP1.71
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

(4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole
CID 131845397
4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
CID 19844013
(4S)-4-ethyl-2-[6-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 66556676
4-ethyl-2-(piperidin-2-ylmethyl)-4,5-dihydro-1,3-oxazole
CID 84667116
4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 3041214
2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
CID 59112144
[2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 59863248
4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 139566761
2-[4-[(E)-2-cyclopenta-1,3-dien-1-ylethenyl]phenyl]-4-ethyl-4,5-dihydro-1,3-oxazole
CID 101339849
(3aR,4R,5R,6S,7aS)-2-(azetidin-1-yl)-6-(fluoromethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-4,5-diol
CID 71152194
[6-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]methyl-diphenylphosphane
CID 23249038
(2R)-2-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 166775922

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole (CID 101211386) is (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole is CC[C@H]1COC(N2CCCN(C3=N[C@@H](CC)CO3)CCC2)=N1.
What is the InChIKey of (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CIDCBYIOFBGSOU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-13-11-21-15(17-13)19-7-5-9-20(10-6-8-19)16-18-14(4-2)12-22-16/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 308.43 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101211386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).