(9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

C19H24FN5O2 — CID 125170054

IUPAC(9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCCCn2nnnc21
InChIInChI=1S/C19H24FN5O2/c20-15-5-3-4-14(12-15)19(7-10-27-11-8-19)13-21-18(26)16-6-1-2-9-25-17(16)22-23-24-25/h3-5,12,16H,1-2,6-11,13H2,(H,21,26)/t16-/m1/s1
InChIKeyWOELVVSYNAQDLB-MRXNPFEDSA-N
MW373.43 g/mol
LogP1.94
Rot. Bonds4

About (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

(9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (PubChem CID 125170054) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.

Molecular Properties

Compound Name(9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
PubChem CID125170054
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name(9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCCCn2nnnc21
InChIInChI=1S/C19H24FN5O2/c20-15-5-3-4-14(12-15)19(7-10-27-11-8-19)13-21-18(26)16-6-1-2-9-25-17(16)22-23-24-25/h3-5,12,16H,1-2,6-11,13H2,(H,21,26)/t16-/m1/s1
InChIKeyWOELVVSYNAQDLB-MRXNPFEDSA-N
XLogP1.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide with MolForge

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
CID 118763908
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
(4aR,6S,8aR)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 155503313
(1S,3R,4R)-4-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methoxycyclohexane-1-carboxamide
CID 155504602
(3S)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 125447763
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712
N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 50959923

Frequently Asked Questions

What is the IUPAC name of (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The IUPAC name of (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (CID 125170054) is (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.
What is the SMILES notation for (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The canonical SMILES for (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCCCn2nnnc21.
What is the InChIKey of (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The InChIKey is WOELVVSYNAQDLB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24FN5O2/c20-15-5-3-4-14(12-15)19(7-10-27-11-8-19)13-21-18(26)16-6-1-2-9-25-17(16)22-23-24-25/h3-5,12,16H,1-2,6-11,13H2,(H,21,26)/t16-/m1/s1.
What are the key properties of (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
(9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is sourced from PubChem (CID 125170054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).