N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide

C18H18FN3O3 — CID 154749020

IUPACN-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)C1C2CCC(C2)C1NC(=O)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C18H18FN3O3/c19-12-4-2-1-3-11(12)14-8-13(22-25-14)18(24)21-16-10-6-5-9(7-10)15(16)17(20)23/h1-4,8-10,15-16H,5-7H2,(H2,20,23)(H,21,24)
InChIKeyLJFXDUFKFNPBIF-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.11
Rot. Bonds4

About N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide

N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 154749020) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID154749020
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESNC(=O)C1C2CCC(C2)C1NC(=O)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C18H18FN3O3/c19-12-4-2-1-3-11(12)14-8-13(22-25-14)18(24)21-16-10-6-5-9(7-10)15(16)17(20)23/h1-4,8-10,15-16H,5-7H2,(H2,20,23)(H,21,24)
InChIKeyLJFXDUFKFNPBIF-UHFFFAOYSA-N
XLogP2.11
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 55639151
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37342518
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
methyl (1S,2R,3R,4S)-3-[(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124739072
(1S,2S,3R,4S)-3-(9H-fluoren-9-ylamino)bicyclo[2.2.1]heptane-2-carboxamide
CID 132962052
N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 126811277
5-(2-fluorophenyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 37338212
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95302784
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55637295
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327567

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 154749020) is N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is NC(=O)C1C2CCC(C2)C1NC(=O)c1cc(-c2ccccc2F)on1.
What is the InChIKey of N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LJFXDUFKFNPBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-12-4-2-1-3-11(12)14-8-13(22-25-14)18(24)21-16-10-6-5-9(7-10)15(16)17(20)23/h1-4,8-10,15-16H,5-7H2,(H2,20,23)(H,21,24).
What are the key properties of N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-bicyclo[2.2.1]heptanyl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154749020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).