N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide

C13H15N5O2 — CID 122317397

IUPACN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1nccc(N2CCCC2)n1)c1ccno1
InChIInChI=1S/C13H15N5O2/c19-13(10-3-6-16-20-10)15-9-11-14-5-4-12(17-11)18-7-1-2-8-18/h3-6H,1-2,7-9H2,(H,15,19)
InChIKeyRKJIEPCZHUZZIZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.99
Rot. Bonds4

About N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 122317397) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID122317397
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1nccc(N2CCCC2)n1)c1ccno1
InChIInChI=1S/C13H15N5O2/c19-13(10-3-6-16-20-10)15-9-11-14-5-4-12(17-11)18-7-1-2-8-18/h3-6H,1-2,7-9H2,(H,15,19)
InChIKeyRKJIEPCZHUZZIZ-UHFFFAOYSA-N
XLogP0.99
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438
5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122318528
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
2,4-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91966531
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
1-(4-fluorophenyl)-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966542

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide (CID 122317397) is N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1nccc(N2CCCC2)n1)c1ccno1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is RKJIEPCZHUZZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13(10-3-6-16-20-10)15-9-11-14-5-4-12(17-11)18-7-1-2-8-18/h3-6H,1-2,7-9H2,(H,15,19).
What are the key properties of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide?
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 122317397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).