2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid

C11H11N3O5 — CID 19768758

IUPAC2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1ncoc1-c1ccco1
InChIInChI=1S/C11H11N3O5/c15-10(12-3-4-13-11(16)17)8-9(19-6-14-8)7-2-1-5-18-7/h1-2,5-6,13H,3-4H2,(H,12,15)(H,16,17)
InChIKeyQNJUYVDEVZGHBB-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.93
Rot. Bonds5

About 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid

2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid (PubChem CID 19768758) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
PubChem CID19768758
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1ncoc1-c1ccco1
InChIInChI=1S/C11H11N3O5/c15-10(12-3-4-13-11(16)17)8-9(19-6-14-8)7-2-1-5-18-7/h1-2,5-6,13H,3-4H2,(H,12,15)(H,16,17)
InChIKeyQNJUYVDEVZGHBB-UHFFFAOYSA-N
XLogP0.93
TPSA117.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 97238400
5-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 86950756
N-(1-tert-butylpiperidin-4-yl)-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 86950757
N-[2-(furan-2-yl)ethyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46958823
N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 131922221
5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 126469074
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 86950986
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 95351210
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 86957724

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid (CID 19768758) is 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid is O=C(O)NCCNC(=O)c1ncoc1-c1ccco1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid?
The InChIKey is QNJUYVDEVZGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c15-10(12-3-4-13-11(16)17)8-9(19-6-14-8)7-2-1-5-18-7/h1-2,5-6,13H,3-4H2,(H,12,15)(H,16,17).
What are the key properties of 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid?
2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid has a molecular weight of 265.23 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid is sourced from PubChem (CID 19768758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).