4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide

C13H16N6O2 — CID 66251010

IUPAC4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)COCC1N
InChIInChI=1S/C13H16N6O2/c1-13(7-21-6-10(13)14)12(20)15-9-4-2-3-8(5-9)11-16-18-19-17-11/h2-5,10H,6-7,14H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeySTAOBUYNQROUAJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.17
Rot. Bonds3

About 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide

4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide (PubChem CID 66251010) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide
PubChem CID66251010
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide
SMILESCC1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)COCC1N
InChIInChI=1S/C13H16N6O2/c1-13(7-21-6-10(13)14)12(20)15-9-4-2-3-8(5-9)11-16-18-19-17-11/h2-5,10H,6-7,14H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeySTAOBUYNQROUAJ-UHFFFAOYSA-N
XLogP0.17
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide
CID 167884555
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 166253071
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide (CID 66251010) is 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide is CC1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is STAOBUYNQROUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-13(7-21-6-10(13)14)12(20)15-9-4-2-3-8(5-9)11-16-18-19-17-11/h2-5,10H,6-7,14H2,1H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide?
4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66251010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).