5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide

C9H12N6O3 — CID 66156376

IUPAC5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C)c2nn[nH]n2)no1
InChIInChI=1S/C9H12N6O3/c1-5(8-11-14-15-12-8)10-9(16)7-3-6(4-17-2)18-13-7/h3,5H,4H2,1-2H3,(H,10,16)(H,11,12,14,15)
InChIKeyROUHALICMUKVQS-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.17
Rot. Bonds5

About 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 66156376) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID66156376
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C)c2nn[nH]n2)no1
InChIInChI=1S/C9H12N6O3/c1-5(8-11-14-15-12-8)10-9(16)7-3-6(4-17-2)18-13-7/h3,5H,4H2,1-2H3,(H,10,16)(H,11,12,14,15)
InChIKeyROUHALICMUKVQS-UHFFFAOYSA-N
XLogP-0.17
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 66156376) is 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC(C)c2nn[nH]n2)no1.
What is the InChIKey of 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ROUHALICMUKVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c1-5(8-11-14-15-12-8)10-9(16)7-3-6(4-17-2)18-13-7/h3,5H,4H2,1-2H3,(H,10,16)(H,11,12,14,15).
What are the key properties of 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 252.23 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66156376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).