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

C12H18N4O4 — CID 22101605

IUPACN-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C12H18N4O4/c17-9(11-15-5-7-19-11)13-3-1-2-4-14-10(18)12-16-6-8-20-12/h1-8H2,(H,13,17)(H,14,18)
InChIKeyXDQFZGYYCKNNQQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.14
Rot. Bonds7

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

N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 22101605) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID22101605
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC NameN-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESO=C(NCCCCNC(=O)C1=NCCO1)C1=NCCO1
InChIInChI=1S/C12H18N4O4/c17-9(11-15-5-7-19-11)13-3-1-2-4-14-10(18)12-16-6-8-20-12/h1-8H2,(H,13,17)(H,14,18)
InChIKeyXDQFZGYYCKNNQQ-UHFFFAOYSA-N
XLogP-1.14
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.14
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
N-hexyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523773
N-butyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523780
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-[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-[6-(5,6-dihydro-4H-1,3-oxazine-2-carbonylamino)hexyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 22101601
N-[4-[4,5-dihydro-1,3-oxazole-2-carbonyl(methyl)amino]butyl]-N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101602
N-[8-(4,5-dihydro-1,3-oxazole-2-carbonylamino)octyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 22101608

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 22101605) is N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is O=C(NCCCCNC(=O)C1=NCCO1)C1=NCCO1.
What is the InChIKey of N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is XDQFZGYYCKNNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c17-9(11-15-5-7-19-11)13-3-1-2-4-14-10(18)12-16-6-8-20-12/h1-8H2,(H,13,17)(H,14,18).
What are the key properties of N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of -1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1,3-oxazole-2-carbonylamino)butyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22101605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).