4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide

C16H17N5O4 — CID 30749496

IUPAC4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(C[C@H](O)COCc3ccco3)n2)cc1
InChIInChI=1S/C16H17N5O4/c17-15(23)11-3-5-12(6-4-11)16-18-20-21(19-16)8-13(22)9-24-10-14-2-1-7-25-14/h1-7,13,22H,8-10H2,(H2,17,23)/t13-/m0/s1
InChIKeyGMBJNQQIMCSLDJ-ZDUSSCGKSA-N
MW343.34 g/mol
LogP0.61
Rot. Bonds8

About 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide

4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide (PubChem CID 30749496) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
PubChem CID30749496
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(C[C@H](O)COCc3ccco3)n2)cc1
InChIInChI=1S/C16H17N5O4/c17-15(23)11-3-5-12(6-4-11)16-18-20-21(19-16)8-13(22)9-24-10-14-2-1-7-25-14/h1-7,13,22H,8-10H2,(H2,17,23)/t13-/m0/s1
InChIKeyGMBJNQQIMCSLDJ-ZDUSSCGKSA-N
XLogP0.61
TPSA129.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
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(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 32532141
4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide
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(2S)-1-[(4-chlorophenyl)methoxy]-3-[5-(4-chlorophenyl)tetrazol-2-yl]propan-2-ol
CID 32556840
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 42942047
4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide
CID 94386508
4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide
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(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
(2R)-1-[5-(furan-2-yl)tetrazol-2-yl]-3-propan-2-yloxypropan-2-ol
CID 124614806
1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide (CID 30749496) is 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide is NC(=O)c1ccc(-c2nnn(C[C@H](O)COCc3ccco3)n2)cc1.
What is the InChIKey of 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The InChIKey is GMBJNQQIMCSLDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N5O4/c17-15(23)11-3-5-12(6-4-11)16-18-20-21(19-16)8-13(22)9-24-10-14-2-1-7-25-14/h1-7,13,22H,8-10H2,(H2,17,23)/t13-/m0/s1.
What are the key properties of 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide?
4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide has a molecular weight of 343.34 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 30749496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).