(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H16N6O3 — CID 26124939

IUPAC(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)n1c(=O)oc2ccccc21
InChIInChI=1S/C18H16N6O3/c1-11(24-14-8-3-4-9-15(14)27-18(24)26)17(25)19-13-7-5-6-12(10-13)16-20-21-22-23(16)2/h3-11H,1-2H3,(H,19,25)/t11-/m0/s1
InChIKeyIUJDKEUUDILEIB-NSHDSACASA-N
MW364.37 g/mol
LogP1.98
Rot. Bonds4

About (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 26124939) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID26124939
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)n1c(=O)oc2ccccc21
InChIInChI=1S/C18H16N6O3/c1-11(24-14-8-3-4-9-15(14)27-18(24)26)17(25)19-13-7-5-6-12(10-13)16-20-21-22-23(16)2/h3-11H,1-2H3,(H,19,25)/t11-/m0/s1
InChIKeyIUJDKEUUDILEIB-NSHDSACASA-N
XLogP1.98
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 24608968
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 46683955
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26122706
methyl 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 24608479
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide
CID 41356371
N-(4-acetylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886772
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 55832469
(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 99773500
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 26124939) is (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is C[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)n1c(=O)oc2ccccc21.
What is the InChIKey of (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is IUJDKEUUDILEIB-NSHDSACASA-N. The full InChI is InChI=1S/C18H16N6O3/c1-11(24-14-8-3-4-9-15(14)27-18(24)26)17(25)19-13-7-5-6-12(10-13)16-20-21-22-23(16)2/h3-11H,1-2H3,(H,19,25)/t11-/m0/s1.
What are the key properties of (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 364.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 26124939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).