N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

C20H15N3O3 — CID 97407368

IUPACN-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C20H15N3O3/c24-19(21-14-7-8-14)13-6-9-17-15(10-13)18(23-26-17)16-11-25-20(22-16)12-4-2-1-3-5-12/h1-6,9-11,14H,7-8H2,(H,21,24)
InChIKeyHZFGHGNOZGOHLS-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.04
Rot. Bonds4

About N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97407368) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97407368
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C20H15N3O3/c24-19(21-14-7-8-14)13-6-9-17-15(10-13)18(23-26-17)16-11-25-20(22-16)12-4-2-1-3-5-12/h1-6,9-11,14H,7-8H2,(H,21,24)
InChIKeyHZFGHGNOZGOHLS-UHFFFAOYSA-N
XLogP4.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Isoxazol-3-ylethyl){[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}methylamine
CID 16192044
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407378
N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446393
3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
CID 97446405
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97526234
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97526244
5-[5-(2-Ethyl-6-methyl-4-oxazol-2-yl-phenoxy)pentyl]-3-methyl-isoxazole
CID 5273096
3-(benzo[d]oxazol-2-yl)-3-(4-fluorophenyl)-N-(isoxazol-3-ylmethyl)propanamide
CID 172432680
[3-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97361849
1-[3-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-2-pyridin-2-ylethanone
CID 134689580
N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 71289108
N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzamide
CID 71290343

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97407368) is N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is O=C(NC1CC1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1.
What is the InChIKey of N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is HZFGHGNOZGOHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-19(21-14-7-8-14)13-6-9-17-15(10-13)18(23-26-17)16-11-25-20(22-16)12-4-2-1-3-5-12/h1-6,9-11,14H,7-8H2,(H,21,24).
What are the key properties of N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97407368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).