N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide

C20H19ClN4O2 — CID 126781803

IUPACN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)NC1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C20H19ClN4O2/c1-13-17(27-20(23-13)14-6-3-2-4-7-14)19(26)24-15-9-11-25(12-15)18-16(21)8-5-10-22-18/h2-8,10,15H,9,11-12H2,1H3,(H,24,26)
InChIKeyDYNRTDAYHFJRSS-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide

N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 126781803) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID126781803
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)NC1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C20H19ClN4O2/c1-13-17(27-20(23-13)14-6-3-2-4-7-14)19(26)24-15-9-11-25(12-15)18-16(21)8-5-10-22-18/h2-8,10,15H,9,11-12H2,1H3,(H,24,26)
InChIKeyDYNRTDAYHFJRSS-UHFFFAOYSA-N
XLogP3.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 75202956
1-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97074230
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90187382
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 75202692
2-[[[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046628
N-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 97042284
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
CID 155945136
3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 75379285

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide (CID 126781803) is N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)oc1C(=O)NC1CCN(c2ncccc2Cl)C1.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is DYNRTDAYHFJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-17(27-20(23-13)14-6-3-2-4-7-14)19(26)24-15-9-11-25(12-15)18-16(21)8-5-10-22-18/h2-8,10,15H,9,11-12H2,1H3,(H,24,26).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126781803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).