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

C14H17N5O2 — CID 96565011

IUPAC(2R,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-NEPJUHHUSA-N
MW287.32 g/mol
LogP1.61
Rot. Bonds3

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

(2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide (PubChem CID 96565011) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
PubChem CID96565011
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(2R,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-NEPJUHHUSA-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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Related Compounds

(2S,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
CID 96565010
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 120508179
N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 119430513
4-[[2-(4-methylphenyl)oxane-3-carbonyl]amino]butanoic acid
CID 119171119
2-methyl-5-[[2-(4-methylphenyl)oxane-3-carbonyl]amino]benzoic acid
CID 119255380
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
CID 119425325
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)oxane-3-carboxamide
CID 119640603
N-[2-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide;hydrochloride
CID 120830094
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 119445798
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide
CID 120882466
(2R,3R)-2-(4-methylphenyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]oxane-3-carboxamide
CID 100832650

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide (CID 96565011) is (2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide?
The canonical SMILES for (2R,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 (2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide?
The InChIKey is KTCXHJSANWKQSZ-NEPJUHHUSA-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 (2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide?
(2R,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 (2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide is sourced from PubChem (CID 96565011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).