N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C16H21N5O2 — CID 51078054

IUPACN-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)n1cnnn1)C1CCCO1
InChIInChI=1S/C16H21N5O2/c1-12(15-8-5-9-23-15)18-16(22)14(21-11-17-19-20-21)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14-15H,5,8-10H2,1H3,(H,18,22)
InChIKeyFZCUSVAOFDFYDX-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.14
Rot. Bonds6

About N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51078054) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51078054
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)n1cnnn1)C1CCCO1
InChIInChI=1S/C16H21N5O2/c1-12(15-8-5-9-23-15)18-16(22)14(21-11-17-19-20-21)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14-15H,5,8-10H2,1H3,(H,18,22)
InChIKeyFZCUSVAOFDFYDX-UHFFFAOYSA-N
XLogP1.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 35254900
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 109479307
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51231474
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]propanamide;dihydrochloride
CID 119728584

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51078054) is N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is CC(NC(=O)C(Cc1ccccc1)n1cnnn1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is FZCUSVAOFDFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12(15-8-5-9-23-15)18-16(22)14(21-11-17-19-20-21)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14-15H,5,8-10H2,1H3,(H,18,22).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 315.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51078054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).