(1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide

C16H18FN5O2 — CID 166313738

IUPAC(1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1nn[nH]n1)[C@@H]1CC[C@H]2C[C@@H]1CO2
InChIInChI=1S/C16H18FN5O2/c17-11-3-1-9(2-4-11)14(15-19-21-22-20-15)18-16(23)13-6-5-12-7-10(13)8-24-12/h1-4,10,12-14H,5-8H2,(H,18,23)(H,19,20,21,22)/t10-,12+,13-,14?/m1/s1
InChIKeyGVQOJXPTVBDJHI-SYJMQEPRSA-N
MW331.35 g/mol
LogP1.36
Rot. Bonds4

About (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide

(1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 166313738) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide
PubChem CID166313738
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name(1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1nn[nH]n1)[C@@H]1CC[C@H]2C[C@@H]1CO2
InChIInChI=1S/C16H18FN5O2/c17-11-3-1-9(2-4-11)14(15-19-21-22-20-15)18-16(23)13-6-5-12-7-10(13)8-24-12/h1-4,10,12-14H,5-8H2,(H,18,23)(H,19,20,21,22)/t10-,12+,13-,14?/m1/s1
InChIKeyGVQOJXPTVBDJHI-SYJMQEPRSA-N
XLogP1.36
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-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

N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide
CID 155949277
N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide
CID 154844192
3-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82129491
(2S,5R)-5-(aminomethyl)-N-[bis(4-fluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120789691
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
4-[bis(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674116
(3E)-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]hexa-3,5-dienamide
CID 167847204
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262533
trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide
CID 166312498
N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 54670055
(1R,2R,3S,4S)-3-[[(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 166323380
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide (CID 166313738) is (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide is O=C(NC(c1ccc(F)cc1)c1nn[nH]n1)[C@@H]1CC[C@H]2C[C@@H]1CO2.
What is the InChIKey of (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is GVQOJXPTVBDJHI-SYJMQEPRSA-N. The full InChI is InChI=1S/C16H18FN5O2/c17-11-3-1-9(2-4-11)14(15-19-21-22-20-15)18-16(23)13-6-5-12-7-10(13)8-24-12/h1-4,10,12-14H,5-8H2,(H,18,23)(H,19,20,21,22)/t10-,12+,13-,14?/m1/s1.
What are the key properties of (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide?
(1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 166313738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).