(4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H15ClN2O2 — CID 45102519

IUPAC(4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-8(6-10-7-16-12(14)15-10)17-11-4-2-9(13)3-5-11/h2-5,8,10H,6-7H2,1H3,(H2,14,15)/t8-,10-/m0/s1
InChIKeyRTPCTHQCIWWAAF-WPRPVWTQSA-N
MW254.72 g/mol
LogP2.21
Rot. Bonds4

About (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 45102519) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID45102519
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-8(6-10-7-16-12(14)15-10)17-11-4-2-9(13)3-5-11/h2-5,8,10H,6-7H2,1H3,(H2,14,15)/t8-,10-/m0/s1
InChIKeyRTPCTHQCIWWAAF-WPRPVWTQSA-N
XLogP2.21
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chloro-4-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67177300
4-[2-(4-chloro-3-fluorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67177737
(4S)-4-[(2R)-2-[4-(trifluoromethyl)phenoxy]propyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173136
4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68715792
4-[2-(3-chloro-4-fluorophenoxy)propyl]-2-methyl-4,5-dihydro-1,3-oxazole
CID 91590086
(4S)-4-[(2S)-2-(4-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 45100819
(4S)-4-[(2R)-2-(4-chloro-3-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67178117
4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 163469476
4-[(4-chlorophenyl)methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68714803
N-[4-[(2R)-3-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]-1,1,1-trifluoropropan-2-yl]oxyphenyl]-4-chlorobenzamide
CID 58256361
(4S)-4-[3-(4-chlorophenyl)-3-methylbutyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173201
(4S)-4-[(3S)-3-(4-chlorophenyl)-3-methoxypropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173187

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 45102519) is (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine is C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RTPCTHQCIWWAAF-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(6-10-7-16-12(14)15-10)17-11-4-2-9(13)3-5-11/h2-5,8,10H,6-7H2,1H3,(H2,14,15)/t8-,10-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 254.72 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-(4-chlorophenoxy)propyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 45102519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).