(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide

C14H17N5O2 — CID 96565010

IUPAC(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
SMILESCc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C14H17N5O2/c1-9-4-6-10(7-5-9)12-11(3-2-8-21-12)13(20)15-14-16-18-19-17-14/h4-7,11-12H,2-3,8H2,1H3,(H2,15,16,17,18,19,20)/t11-,12-/m1/s1
InChIKeyKTCXHJSANWKQSZ-VXGBXAGGSA-N
MW287.32 g/mol
LogP1.61
Rot. Bonds3

About (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide

(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide (PubChem CID 96565010) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
PubChem CID96565010
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
SMILESCc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C14H17N5O2/c1-9-4-6-10(7-5-9)12-11(3-2-8-21-12)13(20)15-14-16-18-19-17-14/h4-7,11-12H,2-3,8H2,1H3,(H2,15,16,17,18,19,20)/t11-,12-/m1/s1
InChIKeyKTCXHJSANWKQSZ-VXGBXAGGSA-N
XLogP1.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide?
The IUPAC name of (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide (CID 96565010) is (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide?
The canonical SMILES for (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide is Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2nn[nH]n2)cc1.
What is the InChIKey of (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide?
The InChIKey is KTCXHJSANWKQSZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-4-6-10(7-5-9)12-11(3-2-8-21-12)13(20)15-14-16-18-19-17-14/h4-7,11-12H,2-3,8H2,1H3,(H2,15,16,17,18,19,20)/t11-,12-/m1/s1.
What are the key properties of (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide?
(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide is sourced from PubChem (CID 96565010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).