2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H29N5O2 — CID 133368007

IUPAC2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)c2cc(C(C)(C)C)nc(C(C)(C)C)n2)no1
InChIInChI=1S/C19H29N5O2/c1-12-9-14(23-26-12)21-16(25)11-24(8)15-10-13(18(2,3)4)20-17(22-15)19(5,6)7/h9-10H,11H2,1-8H3,(H,21,23,25)
InChIKeyYYXIOUGEIOAUKX-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.44
Rot. Bonds4

About 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 133368007) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID133368007
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)c2cc(C(C)(C)C)nc(C(C)(C)C)n2)no1
InChIInChI=1S/C19H29N5O2/c1-12-9-14(23-26-12)21-16(25)11-24(8)15-10-13(18(2,3)4)20-17(22-15)19(5,6)7/h9-10H,11H2,1-8H3,(H,21,23,25)
InChIKeyYYXIOUGEIOAUKX-UHFFFAOYSA-N
XLogP3.44
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039
2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 133442254
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 146084098
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
CID 40717922
N-tert-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 42768772
N-cyclopropyl-3,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 42768931
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-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135099990
2-[(5-bromopyrimidin-2-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146139528

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 133368007) is 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)c2cc(C(C)(C)C)nc(C(C)(C)C)n2)no1.
What is the InChIKey of 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is YYXIOUGEIOAUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-12-9-14(23-26-12)21-16(25)11-24(8)15-10-13(18(2,3)4)20-17(22-15)19(5,6)7/h9-10H,11H2,1-8H3,(H,21,23,25).
What are the key properties of 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-ditert-butylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 133368007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).