N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide

C22H23N5O2 — CID 54411884

IUPACN'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
SMILESCC(c1ccc2c(c1)[nH]c1ccccc12)c1cc(N=C(N)N2CCOCC2)on1
InChIInChI=1S/C22H23N5O2/c1-14(15-6-7-17-16-4-2-3-5-18(16)24-20(17)12-15)19-13-21(29-26-19)25-22(23)27-8-10-28-11-9-27/h2-7,12-14,24H,8-11H2,1H3,(H2,23,25)
InChIKeyVUSHFRMEJQOZPJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.74
Rot. Bonds3

About N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide

N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide (PubChem CID 54411884) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
PubChem CID54411884
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
SMILESCC(c1ccc2c(c1)[nH]c1ccccc12)c1cc(N=C(N)N2CCOCC2)on1
InChIInChI=1S/C22H23N5O2/c1-14(15-6-7-17-16-4-2-3-5-18(16)24-20(17)12-15)19-13-21(29-26-19)25-22(23)27-8-10-28-11-9-27/h2-7,12-14,24H,8-11H2,1H3,(H2,23,25)
InChIKeyVUSHFRMEJQOZPJ-UHFFFAOYSA-N
XLogP3.74
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide (CID 54411884) is N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide is CC(c1ccc2c(c1)[nH]c1ccccc12)c1cc(N=C(N)N2CCOCC2)on1.
What is the InChIKey of N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
The InChIKey is VUSHFRMEJQOZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(15-6-7-17-16-4-2-3-5-18(16)24-20(17)12-15)19-13-21(29-26-19)25-22(23)27-8-10-28-11-9-27/h2-7,12-14,24H,8-11H2,1H3,(H2,23,25).
What are the key properties of N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide?
N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide has a molecular weight of 389.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[1-(9H-carbazol-2-yl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide is sourced from PubChem (CID 54411884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).