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

C16H18N6O2 — CID 99838697

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide
SMILESCc1ccc(Cc2nnn(CCC(=O)Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C16H18N6O2/c1-11-3-5-13(6-4-11)10-15-18-21-22(19-15)8-7-16(23)17-14-9-12(2)24-20-14/h3-6,9H,7-8,10H2,1-2H3,(H,17,20,23)
InChIKeyKBVPDNNHEHJHKY-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.90
Rot. Bonds6

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

N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide (PubChem CID 99838697) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide
PubChem CID99838697
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide
SMILESCc1ccc(Cc2nnn(CCC(=O)Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C16H18N6O2/c1-11-3-5-13(6-4-11)10-15-18-21-22(19-15)8-7-16(23)17-14-9-12(2)24-20-14/h3-6,9H,7-8,10H2,1-2H3,(H,17,20,23)
InChIKeyKBVPDNNHEHJHKY-UHFFFAOYSA-N
XLogP1.90
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide (CID 99838697) is N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide is Cc1ccc(Cc2nnn(CCC(=O)Nc3cc(C)on3)n2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide?
The InChIKey is KBVPDNNHEHJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-3-5-13(6-4-11)10-15-18-21-22(19-15)8-7-16(23)17-14-9-12(2)24-20-14/h3-6,9H,7-8,10H2,1-2H3,(H,17,20,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]propanamide is sourced from PubChem (CID 99838697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).