2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide

C19H17N7O2 — CID 56645423

IUPAC2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide
SMILESN#Cc1cc(-c2ccnc(Nc3nc(C(N)=O)co3)n2)ccc1N1CCCC1
InChIInChI=1S/C19H17N7O2/c20-10-13-9-12(3-4-16(13)26-7-1-2-8-26)14-5-6-22-18(23-14)25-19-24-15(11-28-19)17(21)27/h3-6,9,11H,1-2,7-8H2,(H2,21,27)(H,22,23,24,25)
InChIKeyXDKVSRGTDOQUMW-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.45
Rot. Bonds5

About 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide

2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide (PubChem CID 56645423) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide
PubChem CID56645423
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide
SMILESN#Cc1cc(-c2ccnc(Nc3nc(C(N)=O)co3)n2)ccc1N1CCCC1
InChIInChI=1S/C19H17N7O2/c20-10-13-9-12(3-4-16(13)26-7-1-2-8-26)14-5-6-22-18(23-14)25-19-24-15(11-28-19)17(21)27/h3-6,9,11H,1-2,7-8H2,(H2,21,27)(H,22,23,24,25)
InChIKeyXDKVSRGTDOQUMW-UHFFFAOYSA-N
XLogP2.45
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

US10172856, Example 109
CID 135353344
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CID 137395043
US20230399319, Example 2-183
CID 156548936
US20230399319, Example 2-211
CID 156549724
ALP-POS-d0876c20-17
CID 156906471
US8962609, Dmx-38
CID 56645421
US8962609, Dmx-31
CID 56645631
US20230399319, Example 2-265
CID 156549761
US10172856, Example 117
CID 135350550
US10172856, Example 98
CID 135350571
US10172856, Example 122
CID 135350832
(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[(4-methyl-1,3-oxazol-2-yl)amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 146572456

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide (CID 56645423) is 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide is N#Cc1cc(-c2ccnc(Nc3nc(C(N)=O)co3)n2)ccc1N1CCCC1.
What is the InChIKey of 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide?
The InChIKey is XDKVSRGTDOQUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c20-10-13-9-12(3-4-16(13)26-7-1-2-8-26)14-5-6-22-18(23-14)25-19-24-15(11-28-19)17(21)27/h3-6,9,11H,1-2,7-8H2,(H2,21,27)(H,22,23,24,25).
What are the key properties of 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide?
2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56645423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).