(2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine

C18H27N5O2 — CID 100673992

IUPAC(2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc([C@@H]2CN([C@H](C)c3nnnn3C3CCCCC3)CCO2)o1
InChIInChI=1S/C18H27N5O2/c1-13-8-9-16(25-13)17-12-22(10-11-24-17)14(2)18-19-20-21-23(18)15-6-4-3-5-7-15/h8-9,14-15,17H,3-7,10-12H2,1-2H3/t14-,17+/m1/s1
InChIKeyQVUONFLZVMXHET-PBHICJAKSA-N
MW345.45 g/mol
LogP3.21
Rot. Bonds4

About (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine

(2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine (PubChem CID 100673992) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine
PubChem CID100673992
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc([C@@H]2CN([C@H](C)c3nnnn3C3CCCCC3)CCO2)o1
InChIInChI=1S/C18H27N5O2/c1-13-8-9-16(25-13)17-12-22(10-11-24-17)14(2)18-19-20-21-23(18)15-6-4-3-5-7-15/h8-9,14-15,17H,3-7,10-12H2,1-2H3/t14-,17+/m1/s1
InChIKeyQVUONFLZVMXHET-PBHICJAKSA-N
XLogP3.21
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine?
The IUPAC name of (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine (CID 100673992) is (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine is Cc1ccc([C@@H]2CN([C@H](C)c3nnnn3C3CCCCC3)CCO2)o1.
What is the InChIKey of (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine?
The InChIKey is QVUONFLZVMXHET-PBHICJAKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-8-9-16(25-13)17-12-22(10-11-24-17)14(2)18-19-20-21-23(18)15-6-4-3-5-7-15/h8-9,14-15,17H,3-7,10-12H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine?
(2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine has a molecular weight of 345.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 100673992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).