N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide

C16H26N4O4 — CID 22101619

IUPACN-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
SMILESCC1(C)COC(C(=O)NCCCCNC(=O)C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C16H26N4O4/c1-15(2)9-23-13(19-15)11(21)17-7-5-6-8-18-12(22)14-20-16(3,4)10-24-14/h5-10H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyNUUUNEHSWCVUNI-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.41
Rot. Bonds7

About N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide

N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide (PubChem CID 22101619) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
PubChem CID22101619
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
SMILESCC1(C)COC(C(=O)NCCCCNC(=O)C2=NC(C)(C)CO2)=N1
InChIInChI=1S/C16H26N4O4/c1-15(2)9-23-13(19-15)11(21)17-7-5-6-8-18-12(22)14-20-16(3,4)10-24-14/h5-10H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyNUUUNEHSWCVUNI-UHFFFAOYSA-N
XLogP0.41
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,Na(2)-1,6-Hexanediylbis[4,5-dihydro-2-oxazolecarboxamide]
CID 18347274
N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
CID 20523777
N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523781
N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523784
N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101591
N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101593
N,N'-(Butane-1,4-diyl)di(4,5-dihydro-1,3-oxazole-2-carboxamide)
CID 22101605
N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101608
4-methyl-N-[2-[(4-methyl-4,5-dihydro-1,3-oxazole-2-carbonyl)amino]ethyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101616
N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide;2-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole;bis(yttrium)
CID 165006664
2-(2-amino-2-methylpropoxy)-N-butylacetamide
CID 64537371
N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 165006665

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide (CID 22101619) is N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide is CC1(C)COC(C(=O)NCCCCNC(=O)C2=NC(C)(C)CO2)=N1.
What is the InChIKey of N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide?
The InChIKey is NUUUNEHSWCVUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-15(2)9-23-13(19-15)11(21)17-7-5-6-8-18-12(22)14-20-16(3,4)10-24-14/h5-10H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide?
N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).