N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide

C16H21N5O2 — CID 111427278

IUPACN-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide
SMILESCC(C)(O)Cn1nnc(C(NC(=O)c2ccccc2)C2CC2)n1
InChIInChI=1S/C16H21N5O2/c1-16(2,23)10-21-19-14(18-20-21)13(11-8-9-11)17-15(22)12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,17,22)
InChIKeyDSQRYSYJDZEXER-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.33
Rot. Bonds6

About N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide

N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 111427278) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide
PubChem CID111427278
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide
SMILESCC(C)(O)Cn1nnc(C(NC(=O)c2ccccc2)C2CC2)n1
InChIInChI=1S/C16H21N5O2/c1-16(2,23)10-21-19-14(18-20-21)13(11-8-9-11)17-15(22)12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,17,22)
InChIKeyDSQRYSYJDZEXER-UHFFFAOYSA-N
XLogP1.33
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-cyclopropyl-[2-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]benzamide
CID 95629996
N-[(R)-cyclopropyl-[2-[(5-methyl-1,3-oxazol-4-yl)methyl]tetrazol-5-yl]methyl]benzamide
CID 97245522
N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide
CID 126835764
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[(1S)-2-methyl-1-(2-methyltetrazol-5-yl)propyl]benzamide
CID 95629362
N-[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]tetrazol-5-yl]-2-methylpropyl]benzamide
CID 154795248
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide
CID 136561264
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(1S)-2-methyl-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]tetrazol-5-yl]propyl]benzamide
CID 164632125

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide (CID 111427278) is N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide is CC(C)(O)Cn1nnc(C(NC(=O)c2ccccc2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is DSQRYSYJDZEXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-16(2,23)10-21-19-14(18-20-21)13(11-8-9-11)17-15(22)12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H,17,22).
What are the key properties of N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide?
N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 315.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[2-(2-hydroxy-2-methylpropyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 111427278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).