2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

C13H17N5O3 — CID 114630776

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C13H17N5O3/c1-13(2)9(6-10(13)19)14-11(20)7-18-16-12(15-17-18)8-4-3-5-21-8/h3-5,9-10,19H,6-7H2,1-2H3,(H,14,20)
InChIKeyRDDXLZHGXFAEBB-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.21
Rot. Bonds4

About 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 114630776) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID114630776
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCC1(C)C(O)CC1NC(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C13H17N5O3/c1-13(2)9(6-10(13)19)14-11(20)7-18-16-12(15-17-18)8-4-3-5-21-8/h3-5,9-10,19H,6-7H2,1-2H3,(H,14,20)
InChIKeyRDDXLZHGXFAEBB-UHFFFAOYSA-N
XLogP0.21
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,3-dimethylcyclopentyl)-2-[5-(furan-2-yl)tetrazol-2-yl]acetamide
CID 115882489
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643437
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
N-(2-cyclopropyl-2-hydroxyethyl)-2-[5-(furan-2-yl)tetrazol-2-yl]acetamide
CID 63294953
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
CID 65219644
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (CID 114630776) is 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is CC1(C)C(O)CC1NC(=O)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is RDDXLZHGXFAEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-13(2)9(6-10(13)19)14-11(20)7-18-16-12(15-17-18)8-4-3-5-21-8/h3-5,9-10,19H,6-7H2,1-2H3,(H,14,20).
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 114630776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).