5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide

C20H22N6O2 — CID 122327578

IUPAC5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H22N6O2/c27-20(16-12-17(28-25-16)15-6-2-1-3-7-15)22-9-8-21-18-13-19(24-14-23-18)26-10-4-5-11-26/h1-3,6-7,12-14H,4-5,8-11H2,(H,22,27)(H,21,23,24)
InChIKeyBZFASQGCXGTBPP-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.57
Rot. Bonds7

About 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide

5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 122327578) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID122327578
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H22N6O2/c27-20(16-12-17(28-25-16)15-6-2-1-3-7-15)22-9-8-21-18-13-19(24-14-23-18)26-10-4-5-11-26/h1-3,6-7,12-14H,4-5,8-11H2,(H,22,27)(H,21,23,24)
InChIKeyBZFASQGCXGTBPP-UHFFFAOYSA-N
XLogP2.57
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122293873
5-(furan-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122327907
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
3-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2,1-benzoxazole-5-carboxamide
CID 122327660
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide
CID 122327585
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122327533
5-(furan-2-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazole-3-carboxamide
CID 90544944
N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877205
2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327629
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122327656
4-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122327670

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide (CID 122327578) is 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCNc1cc(N2CCCC2)ncn1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BZFASQGCXGTBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-20(16-12-17(28-25-16)15-6-2-1-3-7-15)22-9-8-21-18-13-19(24-14-23-18)26-10-4-5-11-26/h1-3,6-7,12-14H,4-5,8-11H2,(H,22,27)(H,21,23,24).
What are the key properties of 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122327578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).