N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine

C11H14N4O — CID 129379652

IUPACN-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1cnc2c(n1)CCC[C@@H]2NC1=NCCO1
InChIInChI=1S/C11H14N4O/c1-2-8-10(13-5-4-12-8)9(3-1)15-11-14-6-7-16-11/h4-5,9H,1-3,6-7H2,(H,14,15)/t9-/m0/s1
InChIKeyRBDNHFXUULLMLD-VIFPVBQESA-N
MW218.26 g/mol
LogP0.83
Rot. Bonds1

About N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine

N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 129379652) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID129379652
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1cnc2c(n1)CCC[C@@H]2NC1=NCCO1
InChIInChI=1S/C11H14N4O/c1-2-8-10(13-5-4-12-8)9(3-1)15-11-14-6-7-16-11/h4-5,9H,1-3,6-7H2,(H,14,15)/t9-/m0/s1
InChIKeyRBDNHFXUULLMLD-VIFPVBQESA-N
XLogP0.83
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine (CID 129379652) is N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine is c1cnc2c(n1)CCC[C@@H]2NC1=NCCO1.
What is the InChIKey of N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RBDNHFXUULLMLD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-8-10(13-5-4-12-8)9(3-1)15-11-14-6-7-16-11/h4-5,9H,1-3,6-7H2,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5,6,7,8-tetrahydroquinoxalin-5-yl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 129379652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).