N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide

C18H14N6O2 — CID 170102295

IUPACN-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2onc3ccc(-c4nn[nH]n4)cc23)c1)C1CC1
InChIInChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24)
InChIKeyZDYGRDMSDBGSHI-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.02
Rot. Bonds4

About N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide

N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide (PubChem CID 170102295) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide
PubChem CID170102295
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC NameN-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2onc3ccc(-c4nn[nH]n4)cc23)c1)C1CC1
InChIInChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24)
InChIKeyZDYGRDMSDBGSHI-UHFFFAOYSA-N
XLogP3.02
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide (CID 170102295) is N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(-c2onc3ccc(-c4nn[nH]n4)cc23)c1)C1CC1.
What is the InChIKey of N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is ZDYGRDMSDBGSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24).
What are the key properties of N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide?
N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 346.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 170102295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).