N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide

C12H21N3O2 — CID 114180427

IUPACN-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide
SMILESCCC(C)NC(=O)CNCc1nc(C)c(C)o1
InChIInChI=1S/C12H21N3O2/c1-5-8(2)14-11(16)6-13-7-12-15-9(3)10(4)17-12/h8,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyRVYHMEPCKGRKJC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.30
Rot. Bonds6

About N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide

N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide (PubChem CID 114180427) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide
PubChem CID114180427
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide
SMILESCCC(C)NC(=O)CNCc1nc(C)c(C)o1
InChIInChI=1S/C12H21N3O2/c1-5-8(2)14-11(16)6-13-7-12-15-9(3)10(4)17-12/h8,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyRVYHMEPCKGRKJC-UHFFFAOYSA-N
XLogP1.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
CID 113406065
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylidenebutan-1-amine
CID 106372671
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
CID 60972577
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106438365
2-[[2-(4,5-dimethyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
CID 110836127
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
CID 106372714
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
CID 106130930
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 60972938
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylbut-2-enoic acid
CID 106373645
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide (CID 114180427) is N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide is CCC(C)NC(=O)CNCc1nc(C)c(C)o1.
What is the InChIKey of N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide?
The InChIKey is RVYHMEPCKGRKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-8(2)14-11(16)6-13-7-12-15-9(3)10(4)17-12/h8,13H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide?
N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide has a molecular weight of 239.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 114180427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).