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

C13H15N5O2 — CID 122351951

IUPACN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)n1)c1ccno1
InChIInChI=1S/C13H15N5O2/c19-12(11-4-6-16-20-11)15-9-10-3-5-14-13(17-10)18-7-1-2-8-18/h3-6H,1-2,7-9H2,(H,15,19)
InChIKeyUCXQPCIKICXVCN-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.99
Rot. Bonds4

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

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 122351951) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID122351951
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)n1)c1ccno1
InChIInChI=1S/C13H15N5O2/c19-12(11-4-6-16-20-11)15-9-10-3-5-14-13(17-10)18-7-1-2-8-18/h3-6H,1-2,7-9H2,(H,15,19)
InChIKeyUCXQPCIKICXVCN-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-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122353371
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122352001
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 91967117
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122352082
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
2-(difluoromethylsulfanyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353149
4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122352085

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide (CID 122351951) is N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccnc(N2CCCC2)n1)c1ccno1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UCXQPCIKICXVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-12(11-4-6-16-20-11)15-9-10-3-5-14-13(17-10)18-7-1-2-8-18/h3-6H,1-2,7-9H2,(H,15,19).
What are the key properties of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide?
N-[(2-pyrrolidin-1-ylpyrimidin-4-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-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 122351951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).