3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide

C15H16FN3O2 — CID 99816563

IUPAC3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-3-5-13(6-4-11)19-10-17-8-14(19)15(20)18-12-2-1-7-21-9-12/h3-6,8,10,12H,1-2,7,9H2,(H,18,20)/t12-/m0/s1
InChIKeyKQRBHVDRXTVMAE-LBPRGKRZSA-N
MW289.31 g/mol
LogP1.92
Rot. Bonds3

About 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide

3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide (PubChem CID 99816563) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide
PubChem CID99816563
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-3-5-13(6-4-11)19-10-17-8-14(19)15(20)18-12-2-1-7-21-9-12/h3-6,8,10,12H,1-2,7,9H2,(H,18,20)/t12-/m0/s1
InChIKeyKQRBHVDRXTVMAE-LBPRGKRZSA-N
XLogP1.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide (CID 99816563) is 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide is O=C(N[C@H]1CCCOC1)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide?
The InChIKey is KQRBHVDRXTVMAE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-3-5-13(6-4-11)19-10-17-8-14(19)15(20)18-12-2-1-7-21-9-12/h3-6,8,10,12H,1-2,7,9H2,(H,18,20)/t12-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 99816563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).