3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide

C15H15N3O3 — CID 134075410

IUPAC3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2onc(-c3coc(C)n3)c2c1
InChIInChI=1S/C15H15N3O3/c1-3-6-16-15(19)10-4-5-13-11(7-10)14(18-21-13)12-8-20-9(2)17-12/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)
InChIKeyRXLCKTOGWMBLBV-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.93
Rot. Bonds4

About 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide

3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide (PubChem CID 134075410) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide
PubChem CID134075410
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2onc(-c3coc(C)n3)c2c1
InChIInChI=1S/C15H15N3O3/c1-3-6-16-15(19)10-4-5-13-11(7-10)14(18-21-13)12-8-20-9(2)17-12/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)
InChIKeyRXLCKTOGWMBLBV-UHFFFAOYSA-N
XLogP2.93
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446430
N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446275
3-(2-phenyl-1,3-oxazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97443273
N-propyldibenzofuran-2-carboxamide
CID 19048225
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2-benzoxazole-5-carboxamide
CID 97446341
N-[2-(dimethylamino)ethyl]-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155857096
N-(2-hydroxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361925
3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446299
3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443263
3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714591
N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407381
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide (CID 134075410) is 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide is CCCNC(=O)c1ccc2onc(-c3coc(C)n3)c2c1.
What is the InChIKey of 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide?
The InChIKey is RXLCKTOGWMBLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-6-16-15(19)10-4-5-13-11(7-10)14(18-21-13)12-8-20-9(2)17-12/h4-5,7-8H,3,6H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide?
3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 134075410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).