(2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide

C16H21N5O3 — CID 136586662

IUPAC(2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)[C@@H]2OCCO[C@@H]2C)c1
InChIInChI=1S/C16H21N5O3/c1-10(2)21-15(18-19-20-21)12-5-4-6-13(9-12)17-16(22)14-11(3)23-7-8-24-14/h4-6,9-11,14H,7-8H2,1-3H3,(H,17,22)/t11-,14-/m1/s1
InChIKeyNMKFSNRWUYJUHY-BXUZGUMPSA-N
MW331.38 g/mol
LogP1.66
Rot. Bonds4

About (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide

(2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide (PubChem CID 136586662) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide
PubChem CID136586662
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)[C@@H]2OCCO[C@@H]2C)c1
InChIInChI=1S/C16H21N5O3/c1-10(2)21-15(18-19-20-21)12-5-4-6-13(9-12)17-16(22)14-11(3)23-7-8-24-14/h4-6,9-11,14H,7-8H2,1-3H3,(H,17,22)/t11-,14-/m1/s1
InChIKeyNMKFSNRWUYJUHY-BXUZGUMPSA-N
XLogP1.66
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 26124952
(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide
CID 120925374
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985
2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
(1R,2S,4S)-N-[3-(1-methyltetrazol-5-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98341302
(2S,3S)-N-[4-(3-fluorophenyl)-3-pyridinyl]-3-methyl-1,4-dioxane-2-carboxamide
CID 154806044
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932560

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide (CID 136586662) is (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide is CC(C)n1nnnc1-c1cccc(NC(=O)[C@@H]2OCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide?
The InChIKey is NMKFSNRWUYJUHY-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10(2)21-15(18-19-20-21)12-5-4-6-13(9-12)17-16(22)14-11(3)23-7-8-24-14/h4-6,9-11,14H,7-8H2,1-3H3,(H,17,22)/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide?
(2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-N-[3-(1-propan-2-yltetrazol-5-yl)phenyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 136586662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).