3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C18H23N5O4 — CID 73134339

IUPAC3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESOC1COC2C1OCC2n1nnnc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H23N5O4/c24-15-11-27-16-14(10-26-17(15)16)23-18(19-20-21-23)13-3-1-12(2-4-13)9-22-5-7-25-8-6-22/h1-4,14-17,24H,5-11H2
InChIKeyKDFIHKPKFKEVDP-UHFFFAOYSA-N
MW373.41 g/mol
LogP-0.13
Rot. Bonds4

About 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 73134339) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID73134339
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESOC1COC2C1OCC2n1nnnc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H23N5O4/c24-15-11-27-16-14(10-26-17(15)16)23-18(19-20-21-23)13-3-1-12(2-4-13)9-22-5-7-25-8-6-22/h1-4,14-17,24H,5-11H2
InChIKeyKDFIHKPKFKEVDP-UHFFFAOYSA-N
XLogP-0.13
TPSA94.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[1-[(3S,3aR,6R,6aS)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]tetrazol-5-yl]phenyl]methyl]morpholin-4-ium
CID 11886091
N-[(3S,3aR,6S,6aR)-6-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]furan-2-carboxamide
CID 11886140
N-[(3R,3aR,6S,6aS)-6-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenoxyacetamide
CID 163155239
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
4-[[(3S,3aR,6S,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-4-oxobutanoate
CID 11879663
4-methoxy-N-[6-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]benzamide
CID 73134395
(3S,3aR,6R,6aR)-3-(5-prop-2-enyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 11886101
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2-[1-[2-[[(3S,3aS,6R,6aR)-6-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 162801206
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
1-[(3S,3aR,6aR)-6-(5-phenyltetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea
CID 163446334

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 73134339) is 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is OC1COC2C1OCC2n1nnnc1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is KDFIHKPKFKEVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c24-15-11-27-16-14(10-26-17(15)16)23-18(19-20-21-23)13-3-1-12(2-4-13)9-22-5-7-25-8-6-22/h1-4,14-17,24H,5-11H2.
What are the key properties of 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 373.41 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 73134339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).