2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C12H14BrN5O2 — CID 146139528

IUPAC2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)Cc2ncc(Br)cn2)no1
InChIInChI=1S/C12H14BrN5O2/c1-8-3-10(17-20-8)16-12(19)7-18(2)6-11-14-4-9(13)5-15-11/h3-5H,6-7H2,1-2H3,(H,16,17,19)
InChIKeyJNPMKNONZVGQHI-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.61
Rot. Bonds5

About 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 146139528) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID146139528
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)Cc2ncc(Br)cn2)no1
InChIInChI=1S/C12H14BrN5O2/c1-8-3-10(17-20-8)16-12(19)7-18(2)6-11-14-4-9(13)5-15-11/h3-5H,6-7H2,1-2H3,(H,16,17,19)
InChIKeyJNPMKNONZVGQHI-UHFFFAOYSA-N
XLogP1.61
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135099990
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 146084098
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
CID 40717922
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 51282323
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039
4-bromo-2-fluoro-6-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 133441057
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366090

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 146139528) is 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)Cc2ncc(Br)cn2)no1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JNPMKNONZVGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-8-3-10(17-20-8)16-12(19)7-18(2)6-11-14-4-9(13)5-15-11/h3-5H,6-7H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 340.18 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 146139528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).