2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide

C16H16FN3O4 — CID 121110467

IUPAC2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C16H16FN3O4/c17-11-3-5-12(6-4-11)23-8-7-18-15(22)13-9-24-16(19-13)20-14(21)10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,18,22)(H,19,20,21)
InChIKeyFIEAWCFJLAUDOM-UHFFFAOYSA-N
MW333.32 g/mol
LogP1.97
Rot. Bonds7

About 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 121110467) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID121110467
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C16H16FN3O4/c17-11-3-5-12(6-4-11)23-8-7-18-15(22)13-9-24-16(19-13)20-14(21)10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,18,22)(H,19,20,21)
InChIKeyFIEAWCFJLAUDOM-UHFFFAOYSA-N
XLogP1.97
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515090
2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 121110596
2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide
CID 56765163
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
2-[(4-fluorophenoxy)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 42395827
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-(4-fluorophenoxy)ethyl]-1-methyltriazole-4-carboxamide
CID 45497185
2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 56746715
N-[2-(4-fluorophenoxy)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 37361215
1-(2,2-dimethylpropanoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 37361348
2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 71788416

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide (CID 121110467) is 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide is O=C(NCCOc1ccc(F)cc1)c1coc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FIEAWCFJLAUDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-11-3-5-12(6-4-11)23-8-7-18-15(22)13-9-24-16(19-13)20-14(21)10-1-2-10/h3-6,9-10H,1-2,7-8H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 333.32 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121110467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).