N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

C11H16N6O2S — CID 47120980

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cc(NC(=O)CCSc2nnnn2C(C)C)no1
InChIInChI=1S/C11H16N6O2S/c1-7(2)17-11(13-15-16-17)20-5-4-10(18)12-9-6-8(3)19-14-9/h6-7H,4-5H2,1-3H3,(H,12,14,18)
InChIKeyQYJAOVINKPXQJJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP1.67
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (PubChem CID 47120980) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
PubChem CID47120980
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cc(NC(=O)CCSc2nnnn2C(C)C)no1
InChIInChI=1S/C11H16N6O2S/c1-7(2)17-11(13-15-16-17)20-5-4-10(18)12-9-6-8(3)19-14-9/h6-7H,4-5H2,1-3H3,(H,12,14,18)
InChIKeyQYJAOVINKPXQJJ-UHFFFAOYSA-N
XLogP1.67
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47120957
3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46677060
3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51477491
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 51223118
3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51222962
2-methyl-3-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]sulfanylpropanoic acid
CID 64914900
3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51319356
N-(5-methyl-1,2-oxazol-3-yl)-3-(tetrazol-1-yl)propanamide
CID 5301293
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4011653
3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51223192
3-[[5-(2-fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55410403
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43213085

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (CID 47120980) is N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is Cc1cc(NC(=O)CCSc2nnnn2C(C)C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is QYJAOVINKPXQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-7(2)17-11(13-15-16-17)20-5-4-10(18)12-9-6-8(3)19-14-9/h6-7H,4-5H2,1-3H3,(H,12,14,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 296.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 47120980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).