benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate

C17H14ClN3O5 — CID 141387156

IUPACbenzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESO=C(OCc1ccccc1)C1CN(C(=O)Nc2ccc(Cl)cn2)C(=O)O1
InChIInChI=1S/C17H14ClN3O5/c18-12-6-7-14(19-8-12)20-16(23)21-9-13(26-17(21)24)15(22)25-10-11-4-2-1-3-5-11/h1-8,13H,9-10H2,(H,19,20,23)
InChIKeyMKNOZXDWFPWNKV-UHFFFAOYSA-N
MW375.77 g/mol
LogP2.83
Rot. Bonds4

About benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate

benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate (PubChem CID 141387156) has the molecular formula C17H14ClN3O5 and a molecular weight of 375.77 g/mol. Its IUPAC name is benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate
PubChem CID141387156
Molecular FormulaC17H14ClN3O5
Molecular Weight375.77 g/mol
Exact Mass375.06
IUPAC Namebenzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESO=C(OCc1ccccc1)C1CN(C(=O)Nc2ccc(Cl)cn2)C(=O)O1
InChIInChI=1S/C17H14ClN3O5/c18-12-6-7-14(19-8-12)20-16(23)21-9-13(26-17(21)24)15(22)25-10-11-4-2-1-3-5-11/h1-8,13H,9-10H2,(H,19,20,23)
InChIKeyMKNOZXDWFPWNKV-UHFFFAOYSA-N
XLogP2.83
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
CID 14443169
benzyl (4S)-3-[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74225885
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7284277
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
benzyl 3-(5-chloro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 130472322
(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599628
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046
benzyl 1,3-dioxole-2-carboxylate
CID 91151024
benzyl 2-oxo-1,3-dioxane-4-carboxylate
CID 140663600
N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 121239964
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate (CID 141387156) is benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate is O=C(OCc1ccccc1)C1CN(C(=O)Nc2ccc(Cl)cn2)C(=O)O1.
What is the InChIKey of benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is MKNOZXDWFPWNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O5/c18-12-6-7-14(19-8-12)20-16(23)21-9-13(26-17(21)24)15(22)25-10-11-4-2-1-3-5-11/h1-8,13H,9-10H2,(H,19,20,23).
What are the key properties of benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate?
benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate has a molecular weight of 375.77 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 141387156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).