1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one

C14H17N5O2 — CID 84602533

IUPAC1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O2/c1-11(14(20)18-7-9-21-10-8-18)19-16-13(15-17-19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyOIWZWKOGJNVZCY-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.76
Rot. Bonds3

About 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one

1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one (PubChem CID 84602533) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
PubChem CID84602533
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O2/c1-11(14(20)18-7-9-21-10-8-18)19-16-13(15-17-19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyOIWZWKOGJNVZCY-UHFFFAOYSA-N
XLogP0.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 111470117
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119413579
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]propan-1-one
CID 3188643
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119487364
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 120808963
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-morpholin-4-yl-2-phenylethanone
CID 41041165
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 78851582
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119517161
1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 126783528
(2S)-1-(4-ethylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propan-1-one
CID 95270096
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one (CID 84602533) is 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one is CC(C(=O)N1CCOCC1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one?
The InChIKey is OIWZWKOGJNVZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-11(14(20)18-7-9-21-10-8-18)19-16-13(15-17-19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one?
1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one has a molecular weight of 287.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one is sourced from PubChem (CID 84602533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).