N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide

C17H21N5O2 — CID 95629996

IUPACN-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide
SMILESO=C(N[C@H](c1nnn(C[C@H]2CCCO2)n1)C1CC1)c1ccccc1
InChIInChI=1S/C17H21N5O2/c23-17(13-5-2-1-3-6-13)18-15(12-8-9-12)16-19-21-22(20-16)11-14-7-4-10-24-14/h1-3,5-6,12,14-15H,4,7-11H2,(H,18,23)/t14-,15+/m1/s1
InChIKeyJAMVURJUVMCFEK-CABCVRRESA-N
MW327.39 g/mol
LogP1.73
Rot. Bonds6

About N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide

N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide (PubChem CID 95629996) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide
PubChem CID95629996
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide
SMILESO=C(N[C@H](c1nnn(C[C@H]2CCCO2)n1)C1CC1)c1ccccc1
InChIInChI=1S/C17H21N5O2/c23-17(13-5-2-1-3-6-13)18-15(12-8-9-12)16-19-21-22(20-16)11-14-7-4-10-24-14/h1-3,5-6,12,14-15H,4,7-11H2,(H,18,23)/t14-,15+/m1/s1
InChIKeyJAMVURJUVMCFEK-CABCVRRESA-N
XLogP1.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide
CID 111427278
N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide
CID 126835764
N-[(1S)-2,2,2-trichloro-1-[[(2S)-oxolan-2-yl]methylamino]ethyl]benzamide
CID 1048955
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
[(1R)-1-benzamido-2,2,2-trichloroethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6961260
N-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]benzamide
CID 122143714
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
CID 94800701
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide?
The IUPAC name of N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide (CID 95629996) is N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide is O=C(N[C@H](c1nnn(C[C@H]2CCCO2)n1)C1CC1)c1ccccc1.
What is the InChIKey of N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide?
The InChIKey is JAMVURJUVMCFEK-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(13-5-2-1-3-6-13)18-15(12-8-9-12)16-19-21-22(20-16)11-14-7-4-10-24-14/h1-3,5-6,12,14-15H,4,7-11H2,(H,18,23)/t14-,15+/m1/s1.
What are the key properties of N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide?
N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide has a molecular weight of 327.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 95629996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).