N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide

C20H20N2O2S — CID 55851729

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1
InChIInChI=1S/C20H20N2O2S/c1-12(2)25-16-8-5-13(6-9-16)19(23)21-15-7-10-18-17(11-15)22-20(24-18)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,21,23)
InChIKeyJJONGBLHEQWBGB-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.46
Rot. Bonds5

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide (PubChem CID 55851729) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
PubChem CID55851729
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1
InChIInChI=1S/C20H20N2O2S/c1-12(2)25-16-8-5-13(6-9-16)19(23)21-15-7-10-18-17(11-15)22-20(24-18)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,21,23)
InChIKeyJJONGBLHEQWBGB-UHFFFAOYSA-N
XLogP5.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 46416202
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 46424527
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 51098304
N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide
CID 55620148
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
CID 86930482
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
7-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 46416324
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide (CID 55851729) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide?
The InChIKey is JJONGBLHEQWBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-12(2)25-16-8-5-13(6-9-16)19(23)21-15-7-10-18-17(11-15)22-20(24-18)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 55851729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).