(2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide

C20H22N6O2 — CID 126444127

IUPAC(2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCN2C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)c1
InChIInChI=1S/C20H22N6O2/c1-13-7-8-15(19-22-24-25(2)23-19)12-17(13)21-20(27)26-10-9-18(26)14-5-4-6-16(11-14)28-3/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,27)/t18-/m0/s1
InChIKeyLNMLTQAGWNOBKY-SFHVURJKSA-N
MW378.44 g/mol
LogP3.17
Rot. Bonds4

About (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide

(2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide (PubChem CID 126444127) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide
PubChem CID126444127
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name(2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCN2C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)c1
InChIInChI=1S/C20H22N6O2/c1-13-7-8-15(19-22-24-25(2)23-19)12-17(13)21-20(27)26-10-9-18(26)14-5-4-6-16(11-14)28-3/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,27)/t18-/m0/s1
InChIKeyLNMLTQAGWNOBKY-SFHVURJKSA-N
XLogP3.17
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide (CID 126444127) is (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide is COc1cccc([C@@H]2CCN2C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide?
The InChIKey is LNMLTQAGWNOBKY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-7-8-15(19-22-24-25(2)23-19)12-17(13)21-20(27)26-10-9-18(26)14-5-4-6-16(11-14)28-3/h4-8,11-12,18H,9-10H2,1-3H3,(H,21,27)/t18-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide?
(2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenyl)-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 126444127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).