N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C21H20N6O2 — CID 38937340

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCn1nnnc1-c1cccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H20N6O2/c1-27-21(24-25-26-27)16-9-5-10-17(13-16)23-19(28)11-6-12-20-22-14-18(29-20)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,28)
InChIKeyXXDKDWRWSYUYEY-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.49
Rot. Bonds7

About N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 38937340) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID38937340
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCn1nnnc1-c1cccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H20N6O2/c1-27-21(24-25-26-27)16-9-5-10-17(13-16)23-19(28)11-6-12-20-22-14-18(29-20)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,28)
InChIKeyXXDKDWRWSYUYEY-UHFFFAOYSA-N
XLogP3.49
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26124906
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60548909
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 38937435
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937830
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41294925
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60553216
3-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55991737

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 38937340) is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is Cn1nnnc1-c1cccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is XXDKDWRWSYUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-27-21(24-25-26-27)16-9-5-10-17(13-16)23-19(28)11-6-12-20-22-14-18(29-20)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,28).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 388.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 38937340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).