N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide

C11H12N4O3 — CID 121121180

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cncn(CCNC(=O)c2ccno2)c1=O
InChIInChI=1S/C11H12N4O3/c1-8-6-12-7-15(11(8)17)5-4-13-10(16)9-2-3-14-18-9/h2-3,6-7H,4-5H2,1H3,(H,13,16)
InChIKeyVOQAYCAHUKXRCU-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.03
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 121121180) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID121121180
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cncn(CCNC(=O)c2ccno2)c1=O
InChIInChI=1S/C11H12N4O3/c1-8-6-12-7-15(11(8)17)5-4-13-10(16)9-2-3-14-18-9/h2-3,6-7H,4-5H2,1H3,(H,13,16)
InChIKeyVOQAYCAHUKXRCU-UHFFFAOYSA-N
XLogP-0.03
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-nitrobenzamide
CID 121121235
1-[(4-fluorophenyl)methyl]-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121395
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121121360
2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121023
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
CID 121121413
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 121121180) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide is Cc1cncn(CCNC(=O)c2ccno2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VOQAYCAHUKXRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-8-6-12-7-15(11(8)17)5-4-13-10(16)9-2-3-14-18-9/h2-3,6-7H,4-5H2,1H3,(H,13,16).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 248.24 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121121180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).