(5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H15Cl2N3O3S — CID 52537526

IUPAC(5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C20H15Cl2N3O3S/c21-14-4-2-1-3-12(14)10-25-11-13(5-8-19(25)26)23-20(27)16-9-15(24-28-16)17-6-7-18(22)29-17/h1-8,11,16H,9-10H2,(H,23,27)/t16-/m1/s1
InChIKeyDFLFDGUBOGMLNA-MRXNPFEDSA-N
MW448.33 g/mol
LogP4.40
Rot. Bonds5

About (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 52537526) has the molecular formula C20H15Cl2N3O3S and a molecular weight of 448.33 g/mol. Its IUPAC name is (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID52537526
Molecular FormulaC20H15Cl2N3O3S
Molecular Weight448.33 g/mol
Exact Mass447.02
IUPAC Name(5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C20H15Cl2N3O3S/c21-14-4-2-1-3-12(14)10-25-11-13(5-8-19(25)26)23-20(27)16-9-15(24-28-16)17-6-7-18(22)29-17/h1-8,11,16H,9-10H2,(H,23,27)/t16-/m1/s1
InChIKeyDFLFDGUBOGMLNA-MRXNPFEDSA-N
XLogP4.40
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60527538
3-(5-chlorothiophen-2-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55872638
3-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60527226
N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55891968
3-(5-chlorothiophen-2-yl)-N-[6-(diethylamino)-3-pyridinyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55881159
3-(5-chlorothiophen-2-yl)-N-prop-2-ynyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47301490
3-(5-chlorothiophen-2-yl)-N-(4-cyclopentylsulfonylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121190
3-(5-chlorothiophen-2-yl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55911084
3-(5-chlorothiophen-2-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 75463209
(5R)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94191507
3-(5-chlorothiophen-2-yl)-N-(1-methylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47061847
(5R)-3-(5-chlorothiophen-2-yl)-N-[3-(1,3-dithian-2-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 97011500

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 52537526) is (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1CC(c2ccc(Cl)s2)=NO1.
What is the InChIKey of (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DFLFDGUBOGMLNA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3S/c21-14-4-2-1-3-12(14)10-25-11-13(5-8-19(25)26)23-20(27)16-9-15(24-28-16)17-6-7-18(22)29-17/h1-8,11,16H,9-10H2,(H,23,27)/t16-/m1/s1.
What are the key properties of (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 448.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 52537526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).