N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide

C16H23N5O2 — CID 110205657

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1
InChIInChI=1S/C16H23N5O2/c1-10(2)14(9-22)17-16(23)13-7-5-12(6-8-13)15-18-20-21(19-15)11(3)4/h5-8,10-11,14,22H,9H2,1-4H3,(H,17,23)/t14-/m1/s1
InChIKeyNRSOVWKSSMRNPK-CQSZACIVSA-N
MW317.39 g/mol
LogP1.67
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide (PubChem CID 110205657) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
PubChem CID110205657
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1
InChIInChI=1S/C16H23N5O2/c1-10(2)14(9-22)17-16(23)13-7-5-12(6-8-13)15-18-20-21(19-15)11(3)4/h5-8,10-11,14,22H,9H2,1-4H3,(H,17,23)/t14-/m1/s1
InChIKeyNRSOVWKSSMRNPK-CQSZACIVSA-N
XLogP1.67
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide (CID 110205657) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide is CC(C)[C@@H](CO)NC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The InChIKey is NRSOVWKSSMRNPK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(2)14(9-22)17-16(23)13-7-5-12(6-8-13)15-18-20-21(19-15)11(3)4/h5-8,10-11,14,22H,9H2,1-4H3,(H,17,23)/t14-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide has a molecular weight of 317.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(2-propan-2-yltetrazol-5-yl)benzamide is sourced from PubChem (CID 110205657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).