2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H26N4O3 — CID 4099510

IUPAC2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H26N4O3/c1-7-10(2)19(14(21)17-15(4,5)6)9-13(20)16-12-8-11(3)22-18-12/h8,10H,7,9H2,1-6H3,(H,17,21)(H,16,18,20)
InChIKeyHAKLYHMKBSXECY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.53
Rot. Bonds5

About 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4099510) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4099510
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H26N4O3/c1-7-10(2)19(14(21)17-15(4,5)6)9-13(20)16-12-8-11(3)22-18-12/h8,10H,7,9H2,1-6H3,(H,17,21)(H,16,18,20)
InChIKeyHAKLYHMKBSXECY-UHFFFAOYSA-N
XLogP2.53
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4099602
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4997300
N-butan-2-yl-4-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3559982
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768797
N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4088042
N-[(2R)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 7356137
2-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3648005
N-tert-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 42768772
trans-(1R,2R)-N-[(2S)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 11903460
2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42768895
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide
CID 5168710
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4099510) is 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCC(C)N(CC(=O)Nc1cc(C)on1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HAKLYHMKBSXECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-7-10(2)19(14(21)17-15(4,5)6)9-13(20)16-12-8-11(3)22-18-12/h8,10H,7,9H2,1-6H3,(H,17,21)(H,16,18,20).
What are the key properties of 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4099510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).