[4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone

C12H13F2N5O2 — CID 174936577

IUPAC[4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CN(c2cc(F)cc(F)c2)N=N1
InChIInChI=1S/C12H13F2N5O2/c13-9-5-10(14)7-11(6-9)18-8-19(16-15-18)12(20)17-1-3-21-4-2-17/h5-7H,1-4,8H2
InChIKeyOAZRRSKQZGQXSX-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.78
Rot. Bonds1

About [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone

[4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone (PubChem CID 174936577) has the molecular formula C12H13F2N5O2 and a molecular weight of 297.26 g/mol. Its IUPAC name is [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone
PubChem CID174936577
Molecular FormulaC12H13F2N5O2
Molecular Weight297.26 g/mol
Exact Mass297.10
IUPAC Name[4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CN(c2cc(F)cc(F)c2)N=N1
InChIInChI=1S/C12H13F2N5O2/c13-9-5-10(14)7-11(6-9)18-8-19(16-15-18)12(20)17-1-3-21-4-2-17/h5-7H,1-4,8H2
InChIKeyOAZRRSKQZGQXSX-UHFFFAOYSA-N
XLogP1.78
TPSA60.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone 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

[4-[3-(aminomethyl)phenyl]-5H-tetrazol-1-yl]-morpholin-4-ylmethanone
CID 174935530
morpholin-4-yl-[4-[2-(trifluoromethyl)phenyl]-5H-tetrazol-1-yl]methanone
CID 159943110
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335147
N-(5-fluoro-3-pyridinyl)morpholine-4-carboxamide
CID 110872339
[3-(morpholine-4-carbonyl)-2H-imidazol-1-yl]-morpholin-4-ylmethanone
CID 18974679
morpholin-4-yl(triazol-2-yl)methanone
CID 56593103
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
[4-(3,5-difluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-morpholin-4-ylmethanone
CID 53125597
[4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 166291508
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone (CID 174936577) is [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CN(c2cc(F)cc(F)c2)N=N1.
What is the InChIKey of [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is OAZRRSKQZGQXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O2/c13-9-5-10(14)7-11(6-9)18-8-19(16-15-18)12(20)17-1-3-21-4-2-17/h5-7H,1-4,8H2.
What are the key properties of [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone?
[4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 297.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluorophenyl)-5H-tetrazol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 174936577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).