N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C14H18N4O3 — CID 136665153

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NCc2c(C)noc2C)c(=O)[nH]1
InChIInChI=1S/C14H18N4O3/c1-7-11(14(20)17-10(4)16-7)5-13(19)15-6-12-8(2)18-21-9(12)3/h5-6H2,1-4H3,(H,15,19)(H,16,17,20)
InChIKeyXBZRUGZSBJIKCV-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.85
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136665153) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136665153
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NCc2c(C)noc2C)c(=O)[nH]1
InChIInChI=1S/C14H18N4O3/c1-7-11(14(20)17-10(4)16-7)5-13(19)15-6-12-8(2)18-21-9(12)3/h5-6H2,1-4H3,(H,15,19)(H,16,17,20)
InChIKeyXBZRUGZSBJIKCV-UHFFFAOYSA-N
XLogP0.85
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135956418
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 167879268
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 136662014
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136930441
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 23654563
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47935324

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136665153) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)NCc2c(C)noc2C)c(=O)[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is XBZRUGZSBJIKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7-11(14(20)17-10(4)16-7)5-13(19)15-6-12-8(2)18-21-9(12)3/h5-6H2,1-4H3,(H,15,19)(H,16,17,20).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136665153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).