(1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C10H14N6O3 — CID 18098853

IUPAC(1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCCn1nnnc1COC(=O)c1c(C)noc1N
InChIInChI=1S/C10H14N6O3/c1-3-4-16-7(12-14-15-16)5-18-10(17)8-6(2)13-19-9(8)11/h3-5,11H2,1-2H3
InChIKeyJKKKYZKDLFFIIE-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.32
Rot. Bonds5

About (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

(1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 18098853) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID18098853
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name(1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCCn1nnnc1COC(=O)c1c(C)noc1N
InChIInChI=1S/C10H14N6O3/c1-3-4-16-7(12-14-15-16)5-18-10(17)8-6(2)13-19-9(8)11/h3-5,11H2,1-2H3
InChIKeyJKKKYZKDLFFIIE-UHFFFAOYSA-N
XLogP0.32
TPSA121.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 8628062
(1-propyltetrazol-5-yl)methyl 4-(dimethylamino)benzoate
CID 55397270
(1-propyltetrazol-5-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate
CID 55401994
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
CID 55472995
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
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CID 55399271
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CID 55402800

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 18098853) is (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate is CCCn1nnnc1COC(=O)c1c(C)noc1N.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is JKKKYZKDLFFIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-3-4-16-7(12-14-15-16)5-18-10(17)8-6(2)13-19-9(8)11/h3-5,11H2,1-2H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
(1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 266.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 18098853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).