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

C11H16N4O4 — CID 165006665

IUPACN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCC(CNC(=O)C1=NCCO1)NC(=O)C1=NCCO1
InChIInChI=1S/C11H16N4O4/c1-7(15-9(17)11-13-3-5-19-11)6-14-8(16)10-12-2-4-18-10/h7H,2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyHJTNFIFBBHDNSV-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.54
Rot. Bonds5

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

N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 165006665) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID165006665
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCC(CNC(=O)C1=NCCO1)NC(=O)C1=NCCO1
InChIInChI=1S/C11H16N4O4/c1-7(15-9(17)11-13-3-5-19-11)6-14-8(16)10-12-2-4-18-10/h7H,2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyHJTNFIFBBHDNSV-UHFFFAOYSA-N
XLogP-1.54
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 165006665) is N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is CC(CNC(=O)C1=NCCO1)NC(=O)C1=NCCO1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is HJTNFIFBBHDNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7(15-9(17)11-13-3-5-19-11)6-14-8(16)10-12-2-4-18-10/h7H,2-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[2-(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 -1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-oxazole-2-carbonylamino)propyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 165006665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).