4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H16ClN3O2 — CID 163469476

IUPAC4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC[C@@H](CC1COC(N)=N1)Oc1ccc(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-2-10(5-9-7-17-12(14)16-9)18-11-4-3-8(13)6-15-11/h3-4,6,9-10H,2,5,7H2,1H3,(H2,14,16)/t9?,10-/m0/s1
InChIKeyBVJJTUIYOLLCTD-AXDSSHIGSA-N
MW269.73 g/mol
LogP2.00
Rot. Bonds5

About 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 163469476) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID163469476
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC[C@@H](CC1COC(N)=N1)Oc1ccc(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-2-10(5-9-7-17-12(14)16-9)18-11-4-3-8(13)6-15-11/h3-4,6,9-10H,2,5,7H2,1H3,(H2,14,16)/t9?,10-/m0/s1
InChIKeyBVJJTUIYOLLCTD-AXDSSHIGSA-N
XLogP2.00
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 163469476) is 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine is CC[C@@H](CC1COC(N)=N1)Oc1ccc(Cl)cn1.
What is the InChIKey of 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BVJJTUIYOLLCTD-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-2-10(5-9-7-17-12(14)16-9)18-11-4-3-8(13)6-15-11/h3-4,6,9-10H,2,5,7H2,1H3,(H2,14,16)/t9?,10-/m0/s1.
What are the key properties of 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 269.73 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(5-chloro-2-pyridinyl)oxy]butyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 163469476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).