4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline

C19H21N3O2 — CID 34273923

IUPAC4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCC(C)c1noc([C@H](C)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H21N3O2/c1-13(2)18-21-19(24-22-18)14(3)20-15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,20H,1-3H3/t14-/m0/s1
InChIKeyBDJQFJVMWPRXEB-AWEZNQCLSA-N
MW323.40 g/mol
LogP5.16
Rot. Bonds6

About 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline

4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline (PubChem CID 34273923) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
PubChem CID34273923
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
SMILESCC(C)c1noc([C@H](C)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H21N3O2/c1-13(2)18-21-19(24-22-18)14(3)20-15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,20H,1-3H3/t14-/m0/s1
InChIKeyBDJQFJVMWPRXEB-AWEZNQCLSA-N
XLogP5.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861
4-[4-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenoxy]benzonitrile
CID 94814051
N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 95236398
4-ethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 95337872
4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
CID 47485656
N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284461
N-[2-methyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284466
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
N-(3-methylbutan-2-yl)-4-phenoxyaniline
CID 43111618
1-propan-2-yl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine
CID 75507091
4-phenoxy-N-(3-phenylbutan-2-yl)aniline
CID 168720364
5-phenyl-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95712908

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline (CID 34273923) is 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline is CC(C)c1noc([C@H](C)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
The InChIKey is BDJQFJVMWPRXEB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)18-21-19(24-22-18)14(3)20-15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,20H,1-3H3/t14-/m0/s1.
What are the key properties of 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline?
4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline has a molecular weight of 323.40 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 34273923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).