4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid

C7H9ClN2O3 — CID 112713289

IUPAC4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid
SMILESNc1nc(Cl)c(CCCC(=O)O)o1
InChIInChI=1S/C7H9ClN2O3/c8-6-4(13-7(9)10-6)2-1-3-5(11)12/h1-3H2,(H2,9,10)(H,11,12)
InChIKeyQPEFWFAXPONBCB-UHFFFAOYSA-N
MW204.61 g/mol
LogP1.32
Rot. Bonds4

About 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid

4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid (PubChem CID 112713289) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid
PubChem CID112713289
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid
SMILESNc1nc(Cl)c(CCCC(=O)O)o1
InChIInChI=1S/C7H9ClN2O3/c8-6-4(13-7(9)10-6)2-1-3-5(11)12/h1-3H2,(H2,9,10)(H,11,12)
InChIKeyQPEFWFAXPONBCB-UHFFFAOYSA-N
XLogP1.32
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092
3-(2-chloro-4-methyl-1,3-oxazol-5-yl)propanoic acid
CID 84662317
4-(5-chloro-1,3-benzoxazol-2-yl)butanoic acid
CID 28930919
4-(4-aminopyrimidin-2-yl)butanoic acid
CID 68768286
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
4-(3,5-diaminophenyl)butanoic acid
CID 151286992
4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid
CID 84667621
4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid
CID 83886143
10-(5-chloropyrimidin-2-yl)decanoic acid
CID 150177682
4-(3-bromo-1,2,4-oxadiazol-5-yl)butanoic acid
CID 82389565
6-(3-amino-6-chloro-2-pyridinyl)hex-5-ynoic acid
CID 87538634

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid?
The IUPAC name of 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid (CID 112713289) is 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid?
The canonical SMILES for 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid is Nc1nc(Cl)c(CCCC(=O)O)o1.
What is the InChIKey of 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid?
The InChIKey is QPEFWFAXPONBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c8-6-4(13-7(9)10-6)2-1-3-5(11)12/h1-3H2,(H2,9,10)(H,11,12).
What are the key properties of 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid?
4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid has a molecular weight of 204.61 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chloro-1,3-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 112713289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).