1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid

C9H9ClN2O4 — CID 166277162

IUPAC1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)no1
InChIInChI=1S/C9H9ClN2O4/c10-6-4-5(16-12-6)7(13)11-9(8(14)15)2-1-3-9/h4H,1-3H2,(H,11,13)(H,14,15)
InChIKeyYBDONQRYGGONQE-UHFFFAOYSA-N
MW244.63 g/mol
LogP1.07
Rot. Bonds3

About 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 166277162) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID166277162
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(Cl)no1
InChIInChI=1S/C9H9ClN2O4/c10-6-4-5(16-12-6)7(13)11-9(8(14)15)2-1-3-9/h4H,1-3H2,(H,11,13)(H,14,15)
InChIKeyYBDONQRYGGONQE-UHFFFAOYSA-N
XLogP1.07
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538586
3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61289960
1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 81158788
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120530828
1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157567
1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 114037063
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 107371425
1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114035166
1-[[3-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]-1,2-oxazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 46181283
1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161794

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 166277162) is 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(Cl)no1.
What is the InChIKey of 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is YBDONQRYGGONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4/c10-6-4-5(16-12-6)7(13)11-9(8(14)15)2-1-3-9/h4H,1-3H2,(H,11,13)(H,14,15).
What are the key properties of 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 244.63 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-1,2-oxazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166277162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).