(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone

C20H21N5O3 — CID 41041165

IUPAC(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone
SMILESCOc1cccc(-c2nnn([C@@H](C(=O)N3CCOCC3)c3ccccc3)n2)c1
InChIInChI=1S/C20H21N5O3/c1-27-17-9-5-8-16(14-17)19-21-23-25(22-19)18(15-6-3-2-4-7-15)20(26)24-10-12-28-13-11-24/h2-9,14,18H,10-13H2,1H3/t18-/m1/s1
InChIKeyNRDYDIAABRGSRE-GOSISDBHSA-N
MW379.42 g/mol
LogP1.80
Rot. Bonds5

About (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone

(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 41041165) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone
PubChem CID41041165
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone
SMILESCOc1cccc(-c2nnn([C@@H](C(=O)N3CCOCC3)c3ccccc3)n2)c1
InChIInChI=1S/C20H21N5O3/c1-27-17-9-5-8-16(14-17)19-21-23-25(22-19)18(15-6-3-2-4-7-15)20(26)24-10-12-28-13-11-24/h2-9,14,18H,10-13H2,1H3/t18-/m1/s1
InChIKeyNRDYDIAABRGSRE-GOSISDBHSA-N
XLogP1.80
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 84602533
5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 93140823
1-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-morpholin-4-ylpropan-2-ol
CID 53499440
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide
CID 40811476
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 35834289
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 866855
(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 30624445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone (CID 41041165) is (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone is COc1cccc(-c2nnn([C@@H](C(=O)N3CCOCC3)c3ccccc3)n2)c1.
What is the InChIKey of (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is NRDYDIAABRGSRE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-17-9-5-8-16(14-17)19-21-23-25(22-19)18(15-6-3-2-4-7-15)20(26)24-10-12-28-13-11-24/h2-9,14,18H,10-13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone?
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 379.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 41041165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).