N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide

C16H13FN2O2 — CID 130347890

IUPACN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2F)no1)C1C=CC=C1
InChIInChI=1S/C16H13FN2O2/c17-14-8-4-3-7-13(14)15-9-12(21-19-15)10-18-16(20)11-5-1-2-6-11/h1-9,11H,10H2,(H,18,20)
InChIKeyHCFAXALSJBVZSA-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.84
Rot. Bonds4

About N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide (PubChem CID 130347890) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
PubChem CID130347890
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2F)no1)C1C=CC=C1
InChIInChI=1S/C16H13FN2O2/c17-14-8-4-3-7-13(14)15-9-12(21-19-15)10-18-16(20)11-5-1-2-6-11/h1-9,11H,10H2,(H,18,20)
InChIKeyHCFAXALSJBVZSA-UHFFFAOYSA-N
XLogP2.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide
CID 130347878
1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 131897483
2,5-dichloro-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465240
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125179473
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(4-propan-2-ylmorpholin-2-yl)acetamide
CID 118788523
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbenzamide
CID 131889703
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylbutanamide
CID 118773603
1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one
CID 68723925
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
CID 159551717
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl 2-chloropyridine-3-carboxylate
CID 138465110

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide (CID 130347890) is N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide is O=C(NCc1cc(-c2ccccc2F)no1)C1C=CC=C1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is HCFAXALSJBVZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-8-4-3-7-13(14)15-9-12(21-19-15)10-18-16(20)11-5-1-2-6-11/h1-9,11H,10H2,(H,18,20).
What are the key properties of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide?
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 130347890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).