3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide

C12H14N6O2 — CID 64892992

IUPAC3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(-n3cnnn3)cc2)CCOC1
InChIInChI=1S/C12H14N6O2/c13-12(5-6-20-7-12)11(19)15-9-1-3-10(4-2-9)18-8-14-16-17-18/h1-4,8H,5-7,13H2,(H,15,19)
InChIKeyYHSMYJQEFQDDRD-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.28
Rot. Bonds3

About 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide

3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide (PubChem CID 64892992) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
PubChem CID64892992
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(-n3cnnn3)cc2)CCOC1
InChIInChI=1S/C12H14N6O2/c13-12(5-6-20-7-12)11(19)15-9-1-3-10(4-2-9)18-8-14-16-17-18/h1-4,8H,5-7,13H2,(H,15,19)
InChIKeyYHSMYJQEFQDDRD-UHFFFAOYSA-N
XLogP-0.28
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[2-methyl-5-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64893334
1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 26728537
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64894153
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide
CID 82817640
N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
CID 1256899
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide
CID 64892323
3-amino-N-(3-pyrrol-1-ylphenyl)oxolane-3-carboxamide
CID 64893967
(2R)-N-[4-(tetrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 40986910
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide (CID 64892992) is 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide is NC1(C(=O)Nc2ccc(-n3cnnn3)cc2)CCOC1.
What is the InChIKey of 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is YHSMYJQEFQDDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c13-12(5-6-20-7-12)11(19)15-9-1-3-10(4-2-9)18-8-14-16-17-18/h1-4,8H,5-7,13H2,(H,15,19).
What are the key properties of 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide?
3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).