N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

C18H30N4O4 — CID 22101593

IUPACN-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCCCCCCCCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C18H30N4O4/c23-15(17-21-11-13-25-17)19-9-7-5-3-1-2-4-6-8-10-20-16(24)18-22-12-14-26-18/h1-14H2,(H,19,23)(H,20,24)
InChIKeyLPFFMWHIHIMONS-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.20
Rot. Bonds13

About N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 22101593) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID22101593
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC NameN-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCCCCCCCCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C18H30N4O4/c23-15(17-21-11-13-25-17)19-9-7-5-3-1-2-4-6-8-10-20-16(24)18-22-12-14-26-18/h1-14H2,(H,19,23)(H,20,24)
InChIKeyLPFFMWHIHIMONS-UHFFFAOYSA-N
XLogP1.20
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.20
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'-decyl-3-oxapentane-1,5-diamide
CID 87580811
N'-tetradecyl-3-oxapentanediamide
CID 88314350
n-Octyl diglycolamide
CID 129831471
2,2'-Oxybis(n-dodecylacetamide)
CID 129831600
n-Heptyl-2-[(4-(2-[(heptyl-methyl-carbamoyl)-methoxy]-acetylamino)-butylcarbamoyl)-methoxy]-N-methyl-acetamide
CID 546525
N,Na(2)-1,6-Hexanediylbis[4,5-dihydro-2-oxazolecarboxamide]
CID 18347274
N-hexyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523773
N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523784
N-octyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523797
N-octyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523802
N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101591
N-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101601

Frequently Asked Questions

What is the IUPAC name of N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 22101593) is N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is O=C(NCCCCCCCCCCNC(=O)C1=NCCO1)C1=NCCO1.
What is the InChIKey of N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is LPFFMWHIHIMONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c23-15(17-21-11-13-25-17)19-9-7-5-3-1-2-4-6-8-10-20-16(24)18-22-12-14-26-18/h1-14H2,(H,19,23)(H,20,24).
What are the key properties of N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.20, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-(4,5-dihydro-1,3-oxazole-2-carbonylamino)decyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).