sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate

C16H15N2NaO4 — CID 166257921

IUPACsodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate
SMILESO=C([O-])C1CCCC1C(=O)Nc1cccc(-c2ccon2)c1.[Na+]
InChIInChI=1S/C16H16N2O4.Na/c19-15(12-5-2-6-13(12)16(20)21)17-11-4-1-3-10(9-11)14-7-8-22-18-14;/h1,3-4,7-9,12-13H,2,5-6H2,(H,17,19)(H,20,21);/q;+1/p-1
InChIKeyDSMDILXECGFNTL-UHFFFAOYSA-M
MW322.30 g/mol
LogP-1.55
Rot. Bonds4

About sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate

sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate (PubChem CID 166257921) has the molecular formula C16H15N2NaO4 and a molecular weight of 322.30 g/mol. Its IUPAC name is sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namesodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate
PubChem CID166257921
Molecular FormulaC16H15N2NaO4
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Namesodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate
SMILESO=C([O-])C1CCCC1C(=O)Nc1cccc(-c2ccon2)c1.[Na+]
InChIInChI=1S/C16H16N2O4.Na/c19-15(12-5-2-6-13(12)16(20)21)17-11-4-1-3-10(9-11)14-7-8-22-18-14;/h1,3-4,7-9,12-13H,2,5-6H2,(H,17,19)(H,20,21);/q;+1/p-1
InChIKeyDSMDILXECGFNTL-UHFFFAOYSA-M
XLogP-1.55
TPSA95.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(1-methylimidazol-2-yl)-N-[3-(1,2-oxazol-3-yl)phenyl]oxolane-3-carboxamide
CID 136587113
trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6592948
2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 4744720
2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide
CID 166414612
trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6991180
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964103
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6926407
sodium cis-(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 56972207
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194
cis-(1R,2S)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 11860910

Frequently Asked Questions

What is the IUPAC name of sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate?
The IUPAC name of sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate (CID 166257921) is sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate is O=C([O-])C1CCCC1C(=O)Nc1cccc(-c2ccon2)c1.[Na+].
What is the InChIKey of sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate?
The InChIKey is DSMDILXECGFNTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O4.Na/c19-15(12-5-2-6-13(12)16(20)21)17-11-4-1-3-10(9-11)14-7-8-22-18-14;/h1,3-4,7-9,12-13H,2,5-6H2,(H,17,19)(H,20,21);/q;+1/p-1.
What are the key properties of sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate?
sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate has a molecular weight of 322.30 g/mol, XLogP of -1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[[3-(1,2-oxazol-3-yl)phenyl]carbamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 166257921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).