N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide

C15H16N6O3 — CID 122559962

IUPACN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESCOc1ccc(-c2cc(CNC(=O)CCn3cnnn3)no2)cc1
InChIInChI=1S/C15H16N6O3/c1-23-13-4-2-11(3-5-13)14-8-12(18-24-14)9-16-15(22)6-7-21-10-17-19-20-21/h2-5,8,10H,6-7,9H2,1H3,(H,16,22)
InChIKeyIOLHXVAXTXDTAY-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.04
Rot. Bonds7

About N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide

N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 122559962) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID122559962
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC NameN-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESCOc1ccc(-c2cc(CNC(=O)CCn3cnnn3)no2)cc1
InChIInChI=1S/C15H16N6O3/c1-23-13-4-2-11(3-5-13)14-8-12(18-24-14)9-16-15(22)6-7-21-10-17-19-20-21/h2-5,8,10H,6-7,9H2,1H3,(H,16,22)
InChIKeyIOLHXVAXTXDTAY-UHFFFAOYSA-N
XLogP1.04
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51132390
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16879102
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131945994
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
CID 16879241
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide
CID 91692460
4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867195
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-prop-2-enylacetamide
CID 16879106
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155913485

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide (CID 122559962) is N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide is COc1ccc(-c2cc(CNC(=O)CCn3cnnn3)no2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is IOLHXVAXTXDTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-23-13-4-2-11(3-5-13)14-8-12(18-24-14)9-16-15(22)6-7-21-10-17-19-20-21/h2-5,8,10H,6-7,9H2,1H3,(H,16,22).
What are the key properties of N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide?
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 328.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 122559962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).