N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide

C22H22N2O5 — CID 175644184

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide
SMILESCc1noc(C)c1-c1cccc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccc12
InChIInChI=1S/C22H22N2O5/c1-11-19(12(2)29-24-11)16-5-3-4-13-8-14(6-7-15(13)16)22(26)23-17-9-27-21-18(25)10-28-20(17)21/h3-8,17-18,20-21,25H,9-10H2,1-2H3,(H,23,26)/t17-,18-,20-,21-/m1/s1
InChIKeyHNZQDJIQWMLPPJ-VURPSTOHSA-N
MW394.43 g/mol
LogP2.37
Rot. Bonds3

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide (PubChem CID 175644184) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide
PubChem CID175644184
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide
SMILESCc1noc(C)c1-c1cccc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccc12
InChIInChI=1S/C22H22N2O5/c1-11-19(12(2)29-24-11)16-5-3-4-13-8-14(6-7-15(13)16)22(26)23-17-9-27-21-18(25)10-28-20(17)21/h3-8,17-18,20-21,25H,9-10H2,1-2H3,(H,23,26)/t17-,18-,20-,21-/m1/s1
InChIKeyHNZQDJIQWMLPPJ-VURPSTOHSA-N
XLogP2.37
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide with MolForge

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Related Compounds

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 146040739
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
methyl 3-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]-5-hydroxybenzoate
CID 156585419
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-2-[2-(1,3-dimethylpyrazol-4-yl)-6-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 177116660
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 156585551
4-[6-[[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]naphthalen-1-yl]benzoic acid
CID 175642494
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chloro-1H-indole-2-carboxamide
CID 156584209
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-aminoethoxy)benzamide;hydrochloride
CID 155972251
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,4,6-trimethylbenzamide
CID 155915781

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide (CID 175644184) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide is Cc1noc(C)c1-c1cccc2cc(C(=O)N[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)ccc12.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide?
The InChIKey is HNZQDJIQWMLPPJ-VURPSTOHSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-11-19(12(2)29-24-11)16-5-3-4-13-8-14(6-7-15(13)16)22(26)23-17-9-27-21-18(25)10-28-20(17)21/h3-8,17-18,20-21,25H,9-10H2,1-2H3,(H,23,26)/t17-,18-,20-,21-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 175644184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).