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

C14H17N5O2 — CID 122352001

IUPAC5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccnc(N3CCCC3)n2)no1
InChIInChI=1S/C14H17N5O2/c1-10-8-12(18-21-10)13(20)16-9-11-4-5-15-14(17-11)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,20)
InChIKeyNFJAAVQCHZAAML-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.30
Rot. Bonds4

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

5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 122352001) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID122352001
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccnc(N3CCCC3)n2)no1
InChIInChI=1S/C14H17N5O2/c1-10-8-12(18-21-10)13(20)16-9-11-4-5-15-14(17-11)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,20)
InChIKeyNFJAAVQCHZAAML-UHFFFAOYSA-N
XLogP1.30
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122352085
2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide
CID 121137226
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
CID 91967333
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
3,5-dinitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352195
3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122352365
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 91967117
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 122352001) is 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2ccnc(N3CCCC3)n2)no1.
What is the InChIKey of 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NFJAAVQCHZAAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-8-12(18-21-10)13(20)16-9-11-4-5-15-14(17-11)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,20).
What are the key properties of 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122352001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).