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

C11H16N4O4 — CID 22101591

IUPACN-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C11H16N4O4/c16-8(10-14-4-6-18-10)12-2-1-3-13-9(17)11-15-5-7-19-11/h1-7H2,(H,12,16)(H,13,17)
InChIKeyGGTAVRQDQYBGOC-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.53
Rot. Bonds6

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

N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 22101591) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID22101591
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C11H16N4O4/c16-8(10-14-4-6-18-10)12-2-1-3-13-9(17)11-15-5-7-19-11/h1-7H2,(H,12,16)(H,13,17)
InChIKeyGGTAVRQDQYBGOC-UHFFFAOYSA-N
XLogP-1.53
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.53
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

1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
CID 23330011
N,Na(2)-1,6-Hexanediylbis[4,5-dihydro-2-oxazolecarboxamide]
CID 18347274
2-methoxy-N-[3-[(2-methoxyacetyl)amino]propyl]acetamide
CID 18933407
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-propyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523847
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-[4-[(4,4-dimethyl-5H-1,3-oxazole-2-carbonyl)amino]butyl]-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
CID 22101619
N-[3-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)propyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101621

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 22101591) is N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is O=C(NCCCNC(=O)C1=NCCO1)C1=NCCO1.
What is the InChIKey of N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is GGTAVRQDQYBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-8(10-14-4-6-18-10)12-2-1-3-13-9(17)11-15-5-7-19-11/h1-7H2,(H,12,16)(H,13,17).
What are the key properties of N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 268.27 g/mol, XLogP of -1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).