1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea

C17H15N7O2 — CID 122145827

IUPAC1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea
SMILESO=C(NCCn1ncnn1)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C17H15N7O2/c25-17(18-9-10-24-20-11-19-23-24)21-13-7-5-12(6-8-13)16-22-14-3-1-2-4-15(14)26-16/h1-8,11H,9-10H2,(H2,18,21,25)
InChIKeyLXMHFVSXGFTCDI-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.30
Rot. Bonds5

About 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea

1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea (PubChem CID 122145827) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea
PubChem CID122145827
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea
SMILESO=C(NCCn1ncnn1)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C17H15N7O2/c25-17(18-9-10-24-20-11-19-23-24)21-13-7-5-12(6-8-13)16-22-14-3-1-2-4-15(14)26-16/h1-8,11H,9-10H2,(H2,18,21,25)
InChIKeyLXMHFVSXGFTCDI-UHFFFAOYSA-N
XLogP2.30
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]propanoate
CID 48764780
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
S-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino] 4-methylbenzenecarbothioate
CID 22301509
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 18225429
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909635
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16602721
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea (CID 122145827) is 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea is O=C(NCCn1ncnn1)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea?
The InChIKey is LXMHFVSXGFTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c25-17(18-9-10-24-20-11-19-23-24)21-13-7-5-12(6-8-13)16-22-14-3-1-2-4-15(14)26-16/h1-8,11H,9-10H2,(H2,18,21,25).
What are the key properties of 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea?
1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea has a molecular weight of 349.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[2-(tetrazol-2-yl)ethyl]urea is sourced from PubChem (CID 122145827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).