N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide

C18H23N5O3 — CID 126835764

IUPACN-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide
SMILESO=C(NC(c1nnn(CC2(O)CCCOC2)n1)C1CC1)c1ccccc1
InChIInChI=1S/C18H23N5O3/c24-17(14-5-2-1-3-6-14)19-15(13-7-8-13)16-20-22-23(21-16)11-18(25)9-4-10-26-12-18/h1-3,5-6,13,15,25H,4,7-12H2,(H,19,24)
InChIKeyGOXCQUOBRVIAID-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.10
Rot. Bonds6

About N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide

N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide (PubChem CID 126835764) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide
PubChem CID126835764
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide
SMILESO=C(NC(c1nnn(CC2(O)CCCOC2)n1)C1CC1)c1ccccc1
InChIInChI=1S/C18H23N5O3/c24-17(14-5-2-1-3-6-14)19-15(13-7-8-13)16-20-22-23(21-16)11-18(25)9-4-10-26-12-18/h1-3,5-6,13,15,25H,4,7-12H2,(H,19,24)
InChIKeyGOXCQUOBRVIAID-UHFFFAOYSA-N
XLogP1.10
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide?
The IUPAC name of N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide (CID 126835764) is N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide is O=C(NC(c1nnn(CC2(O)CCCOC2)n1)C1CC1)c1ccccc1.
What is the InChIKey of N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide?
The InChIKey is GOXCQUOBRVIAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17(14-5-2-1-3-6-14)19-15(13-7-8-13)16-20-22-23(21-16)11-18(25)9-4-10-26-12-18/h1-3,5-6,13,15,25H,4,7-12H2,(H,19,24).
What are the key properties of N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide?
N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[2-[(3-hydroxyoxan-3-yl)methyl]tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 126835764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).