N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide

C21H23N3O4 — CID 146110636

IUPACN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CC(Cn3ccnc3-c3ccccc3)C[C@H]2O)o1
InChIInChI=1S/C21H23N3O4/c1-27-19-8-7-18(28-19)21(26)23-16-11-14(12-17(16)25)13-24-10-9-22-20(24)15-5-3-2-4-6-15/h2-10,14,16-17,25H,11-13H2,1H3,(H,23,26)/t14?,16-,17-/m1/s1
InChIKeyHMOCKNNIQBTVJA-VNCLPFQGSA-N
MW381.43 g/mol
LogP2.72
Rot. Bonds6

About N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide

N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide (PubChem CID 146110636) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide
PubChem CID146110636
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CC(Cn3ccnc3-c3ccccc3)C[C@H]2O)o1
InChIInChI=1S/C21H23N3O4/c1-27-19-8-7-18(28-19)21(26)23-16-11-14(12-17(16)25)13-24-10-9-22-20(24)15-5-3-2-4-6-15/h2-10,14,16-17,25H,11-13H2,1H3,(H,23,26)/t14?,16-,17-/m1/s1
InChIKeyHMOCKNNIQBTVJA-VNCLPFQGSA-N
XLogP2.72
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide (CID 146110636) is N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide is COc1ccc(C(=O)N[C@@H]2CC(Cn3ccnc3-c3ccccc3)C[C@H]2O)o1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide?
The InChIKey is HMOCKNNIQBTVJA-VNCLPFQGSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-27-19-8-7-18(28-19)21(26)23-16-11-14(12-17(16)25)13-24-10-9-22-20(24)15-5-3-2-4-6-15/h2-10,14,16-17,25H,11-13H2,1H3,(H,23,26)/t14?,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide?
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide is sourced from PubChem (CID 146110636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).