2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide

C14H15N5O3 — CID 75464557

IUPAC2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
SMILESCC1(C)OC(=O)CC1C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H15N5O3/c1-14(2)11(7-12(20)22-14)13(21)16-9-3-5-10(6-4-9)19-8-15-17-18-19/h3-6,8,11H,7H2,1-2H3,(H,16,21)
InChIKeyGLQMEKJTGFGIFG-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.94
Rot. Bonds3

About 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide

2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide (PubChem CID 75464557) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
PubChem CID75464557
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
SMILESCC1(C)OC(=O)CC1C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H15N5O3/c1-14(2)11(7-12(20)22-14)13(21)16-9-3-5-10(6-4-9)19-8-15-17-18-19/h3-6,8,11H,7H2,1-2H3,(H,16,21)
InChIKeyGLQMEKJTGFGIFG-UHFFFAOYSA-N
XLogP0.94
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
CID 929902
(2R)-N-[4-(tetrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 40986910
N-[4-(tetrazol-1-yl)phenyl]but-2-ynamide
CID 126851029
2,3-dimethyl-4-oxo-4-[4-(tetrazol-1-yl)anilino]but-2-enoic acid
CID 76991541
2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide
CID 75464700
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899
1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 26728537
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64892992
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide (CID 75464557) is 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide is CC1(C)OC(=O)CC1C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is GLQMEKJTGFGIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-14(2)11(7-12(20)22-14)13(21)16-9-3-5-10(6-4-9)19-8-15-17-18-19/h3-6,8,11H,7H2,1-2H3,(H,16,21).
What are the key properties of 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide?
2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-oxo-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 75464557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).