5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide

C18H19FN2O3 — CID 130188063

IUPAC5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOC(c2ccc(F)cc2)C1)c1cc(C2CC2)on1
InChIInChI=1S/C18H19FN2O3/c19-13-5-3-11(4-6-13)16-9-14(7-8-23-16)20-18(22)15-10-17(24-21-15)12-1-2-12/h3-6,10,12,14,16H,1-2,7-9H2,(H,20,22)
InChIKeyTWAGFZQDYQMZHU-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.34
Rot. Bonds4

About 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130188063) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID130188063
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOC(c2ccc(F)cc2)C1)c1cc(C2CC2)on1
InChIInChI=1S/C18H19FN2O3/c19-13-5-3-11(4-6-13)16-9-14(7-8-23-16)20-18(22)15-10-17(24-21-15)12-1-2-12/h3-6,10,12,14,16H,1-2,7-9H2,(H,20,22)
InChIKeyTWAGFZQDYQMZHU-UHFFFAOYSA-N
XLogP3.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 4,5-difluoro-2-[[2-(4-fluorophenyl)oxan-4-yl]carbamoyl]benzoate
CID 167779269
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233
2-(cyclobutylamino)-N-[2-(4-fluorophenyl)oxan-4-yl]pyridine-4-carboxamide
CID 166254372
N-[(2S,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
CID 97353433
N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
CID 97353435
4-[[2-(4-fluorophenyl)oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009820
(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
CID 95335747
5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154891187
1-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 125137586
5-[(2-phenyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 120699083
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide
CID 124850095

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide (CID 130188063) is 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCOC(c2ccc(F)cc2)C1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is TWAGFZQDYQMZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-13-5-3-11(4-6-13)16-9-14(7-8-23-16)20-18(22)15-10-17(24-21-15)12-1-2-12/h3-6,10,12,14,16H,1-2,7-9H2,(H,20,22).
What are the key properties of 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).