N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine

C19H20ClN3O2 — CID 71883513

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine
SMILESClc1ccc(C(CNc2nc3ccccc3o2)N2CCOCC2)cc1
InChIInChI=1S/C19H20ClN3O2/c20-15-7-5-14(6-8-15)17(23-9-11-24-12-10-23)13-21-19-22-16-3-1-2-4-18(16)25-19/h1-8,17H,9-13H2,(H,21,22)
InChIKeyGAIMLIXGLRKLMT-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine (PubChem CID 71883513) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine
PubChem CID71883513
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine
SMILESClc1ccc(C(CNc2nc3ccccc3o2)N2CCOCC2)cc1
InChIInChI=1S/C19H20ClN3O2/c20-15-7-5-14(6-8-15)17(23-9-11-24-12-10-23)13-21-19-22-16-3-1-2-4-18(16)25-19/h1-8,17H,9-13H2,(H,21,22)
InChIKeyGAIMLIXGLRKLMT-UHFFFAOYSA-N
XLogP3.97
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine
CID 51308914
2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 119110535
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 87028622
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
CID 60506241
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97209978
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 26021668
2-[(4-chlorophenoxy)methyl]-5-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 51699336
2-[(4-chlorophenoxy)methyl]-5-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 46300073
5-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 51699333
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138993157

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine (CID 71883513) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine is Clc1ccc(C(CNc2nc3ccccc3o2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine?
The InChIKey is GAIMLIXGLRKLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-7-5-14(6-8-15)17(23-9-11-24-12-10-23)13-21-19-22-16-3-1-2-4-18(16)25-19/h1-8,17H,9-13H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine has a molecular weight of 357.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 71883513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).